Metabolite 7-chloro-4-aminoquinoline

Name

7-chloro-4-aminoquinoline

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

2SJ6Y866TU

CAS number

Not Available

Weight

Average: 178.62
Monoisotopic: 178.0297759

Chemical Formula

C₉H₇ClN₂

InChI Key

NDRZSRWMMUGOBP-UHFFFAOYSA-N

InChI

InChI=1S/C9H7ClN2/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-5H,(H2,11,12)

IUPAC Name

7-chloroquinolin-4-amine

SMILES

NC1=C2C=CC(Cl)=CC2=NC=C1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-004i-0900000000-fdd4b07b30541507da8b
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-004i-0900000000-eb1a69a17e9325c0253e
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-004i-0900000000-741b8557bf09278e9786
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-004i-0900000000-88fc1114e54cc1b6c4f8
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-03di-1900000000-de65fc4cffed7fbce535
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-016r-4900000000-17aebb9219d21c8c3fb1

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	133.38562	predicted	DeepCCS 1.0 (2019)
[M+H]+	136.21472	predicted	DeepCCS 1.0 (2019)
[M+Na]+	145.02538	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties