Metabolite 1H-Imidazol-2-amine, 1-((6-chloro-3-pyridinyl)methyl)-4,5-dihydro-N-nitroso-

Name

1H-Imidazol-2-amine, 1-((6-chloro-3-pyridinyl)methyl)-4,5-dihydro-N-nitroso-

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 239.66
Monoisotopic: 239.0573877

Chemical Formula

C₉H₁₀ClN₅O

InChI Key

BGJQJWBDOOIKPP-UHFFFAOYSA-N

InChI

InChI=1S/C9H10ClN5O/c10-8-2-1-7(5-12-8)6-15-4-3-11-9(15)13-14-16/h1-2,5H,3-4,6H2,(H,11,13,16)

IUPAC Name

2-chloro-5-{[2-(nitrosoamino)-4,5-dihydro-1H-imidazol-1-yl]methyl}pyridine

SMILES

ClC1=CC=C(CN2CCN=C2NN=O)C=N1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0006-0190000000-07d6ce4bafe72261f41c
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0002-9200000000-abb4c8ec2c52a4e49232
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-004l-0920000000-6f92738f1fa80a6f5eca
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0002-9000000000-d4c5c9f6f9d1bf3099f6
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00mk-5900000000-6ce980f8419e8a1989b4
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0002-9000000000-05bf373b4fde24251ac0

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	138.79591	predicted	DeepCCS 1.0 (2019)
[M+H]+	141.49223	predicted	DeepCCS 1.0 (2019)
[M+Na]+	150.46423	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties