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]+ 293.12848 166.4
[M+Na]+ 315.11042 174.0
[M-H]- 291.11392 168.5
[M+NH4]+ 310.15502 180.6
[M+K]+ 331.08436 166.4
[M+H-H2O]+ 275.11846 158.3
[M+HCOO]- 337.11940 180.6
[M+CH3COO]- 351.13505 176.0
[M+Na-2H]- 313.09587 170.0
[M]+ 292.12065 162.1
[M]- 292.12175 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.