CID 151339

3-amino-7-chloro-1-hydroxy-1,2,3,4-tetrahydroquinolin-2-one hydrochloride

Structural Information

Molecular Formula
C9H9ClN2O2
SMILES
C1C(C(=O)N(C2=C1C=CC(=C2)Cl)O)N
InChI
InChI=1S/C9H9ClN2O2/c10-6-2-1-5-3-7(11)9(13)12(14)8(5)4-6/h1-2,4,7,14H,3,11H2
InChIKey
UAIVPPAGWHXQPR-UHFFFAOYSA-N
Compound name
3-amino-7-chloro-1-hydroxy-3,4-dihydroquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

15
Patents

212.03525 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.042526 141.7
[M+Na]+ 235.024468 152.0
[M-H]- 211.027974 143.6
[M+NH4]+ 230.069073 160.5
[M+K]+ 250.998408 147.1
[M+H-H2O]+ 195.032510 136.6
[M+HCOO]- 257.033451 156.9
[M+CH3COO]- 271.049101 185.6
[M+Na-2H]- 233.009916 146.8
[M]+ 212.03470142 140.4
[M]- 212.03579858 140.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe