Metabolite Northiaden

Name

Northiaden

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Z8W20XLE56

CAS number

Not Available

Weight

Average: 281.42
Monoisotopic: 281.12382079

Chemical Formula

C₁₈H₁₉NS

InChI Key

FTELXJYVTOFJAI-MHWRWJLKSA-N

InChI

InChI=1S/C18H19NS/c1-19-12-6-10-16-15-8-3-2-7-14(15)13-20-18-11-5-4-9-17(16)18/h2-5,7-11,19H,6,12-13H2,1H3/b16-10+

IUPAC Name

methyl({3-[(2E)-9-thiatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-2-ylidene]propyl})amine

SMILES

CNCC\C=C1/C2=CC=CC=C2CSC2=CC=CC=C12

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0ue9-0090000000-912ddd7cda8579afe6b1
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-001i-0090000000-66f9a86a27f252dd1b96
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0udi-0090000000-1bd9c262761a96c62088
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-001i-0090000000-1ecadd189d56567fdefb
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0f6x-5690000000-26d4170a2a1cfaed4ad6
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-05fs-0590000000-b5ee927e1225061ef853

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	164.19023	predicted	DeepCCS 1.0 (2019)
[M+H]+	166.54823	predicted	DeepCCS 1.0 (2019)
[M+Na]+	172.64139	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties