CID 5274559

4-(2-oxo-5,9b-dihydro-4ah-pyrido[3,2-b]indol-1-yl)benzoic acid

Structural Information

Molecular Formula
C18H14N2O3
SMILES
C1=CC=C2C(=C1)C3C(N2)C=CC(=O)N3C4=CC=C(C=C4)C(=O)O
InChI
InChI=1S/C18H14N2O3/c21-16-10-9-15-17(13-3-1-2-4-14(13)19-15)20(16)12-7-5-11(6-8-12)18(22)23/h1-10,15,17,19H,(H,22,23)
InChIKey
TXSWVSQHVVVQBA-UHFFFAOYSA-N
Compound name
4-(2-oxo-5,9b-dihydro-4aH-pyrido[3,2-b]indol-1-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.10043 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.10771 169.8
[M+Na]+ 329.08965 177.8
[M-H]- 305.09315 173.2
[M+NH4]+ 324.13425 184.0
[M+K]+ 345.06359 171.3
[M+H-H2O]+ 289.09769 161.4
[M+HCOO]- 351.09863 184.3
[M+CH3COO]- 365.11428 179.7
[M+Na-2H]- 327.07510 172.1
[M]+ 306.09988 166.9
[M]- 306.10098 166.9
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.