CID 150718

1-phenyl-1h,2h,3h,4h,9h-pyrido[3,4-b]indole-3-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C18H16N2O2
SMILES
C1C(NC(C2=C1C3=CC=CC=C3N2)C4=CC=CC=C4)C(=O)O
InChI
InChI=1S/C18H16N2O2/c21-18(22)15-10-13-12-8-4-5-9-14(12)19-17(13)16(20-15)11-6-2-1-3-7-11/h1-9,15-16,19-20H,10H2,(H,21,22)
InChIKey
ZJSUEWDIHUPPRO-UHFFFAOYSA-N
Compound name
1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

87
Patents

292.1212 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.128476 166.4
[M+Na]+ 315.110418 174.0
[M-H]- 291.113924 168.5
[M+NH4]+ 310.155023 180.6
[M+K]+ 331.084358 166.4
[M+H-H2O]+ 275.118460 158.3
[M+HCOO]- 337.119401 180.6
[M+CH3COO]- 351.135051 176.0
[M+Na-2H]- 313.095866 170.0
[M]+ 292.12065142 162.1
[M]- 292.12174858 162.1
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