CID 5274553

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

Structural Information

Molecular Formula
C19H15ClN2O3
SMILES
CN1C2C=C(C(=O)N(C2C3=CC=CC=C31)C4=CC=C(C=C4)C(=O)O)Cl
InChI
InChI=1S/C19H15ClN2O3/c1-21-15-5-3-2-4-13(15)17-16(21)10-14(20)18(23)22(17)12-8-6-11(7-9-12)19(24)25/h2-10,16-17H,1H3,(H,24,25)
InChIKey
ISYBAZJOFMXHDI-UHFFFAOYSA-N
Compound name
4-(3-chloro-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

354.07712 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.08440 181.8
[M+Na]+ 377.06634 192.3
[M-H]- 353.06984 186.9
[M+NH4]+ 372.11094 196.2
[M+K]+ 393.04028 185.2
[M+H-H2O]+ 337.07438 173.8
[M+HCOO]- 399.07532 192.8
[M+CH3COO]- 413.09097 192.1
[M+Na-2H]- 375.05179 182.0
[M]+ 354.07657 184.0
[M]- 354.07767 184.0
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.