CID 5274564

4-(5-methyl-2-oxo-4a,9b-dihydropyrido[3,2-b]indol-1-yl)benzoic acid

Structural Information

Molecular Formula
C19H16N2O3
SMILES
CN1C2C=CC(=O)N(C2C3=CC=CC=C31)C4=CC=C(C=C4)C(=O)O
InChI
InChI=1S/C19H16N2O3/c1-20-15-5-3-2-4-14(15)18-16(20)10-11-17(22)21(18)13-8-6-12(7-9-13)19(23)24/h2-11,16,18H,1H3,(H,23,24)
InChIKey
FWQFCFDPZCGEJU-UHFFFAOYSA-N
Compound name
4-(5-methyl-2-oxo-4a,9b-dihydropyrido[3,2-b]indol-1-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.1161 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.12338 174.8
[M+Na]+ 343.10532 183.6
[M-H]- 319.10882 179.8
[M+NH4]+ 338.14992 189.4
[M+K]+ 359.07926 177.8
[M+H-H2O]+ 303.11336 166.1
[M+HCOO]- 365.11430 190.4
[M+CH3COO]- 379.12995 185.2
[M+Na-2H]- 341.09077 176.2
[M]+ 320.11555 174.3
[M]- 320.11665 174.3
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.