CID 12065084

4-oxo-3h,4h,5h-pyrrolo[2,3-c]quinoline-1-carboxylic acid

Structural Information

Molecular Formula
C12H8N2O3
SMILES
C1=CC=C2C(=C1)C3=C(C(=O)N2)NC=C3C(=O)O
InChI
InChI=1S/C12H8N2O3/c15-11-10-9(7(5-13-10)12(16)17)6-3-1-2-4-8(6)14-11/h1-5,13H,(H,14,15)(H,16,17)
InChIKey
ATIJPNPQOFCHEJ-UHFFFAOYSA-N
Compound name
4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

228.0535 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.060776 145.9
[M+Na]+ 251.042718 157.2
[M-H]- 227.046224 146.2
[M+NH4]+ 246.087323 163.4
[M+K]+ 267.016658 151.2
[M+H-H2O]+ 211.050760 139.7
[M+HCOO]- 273.051701 164.1
[M+CH3COO]- 287.067351 158.2
[M+Na-2H]- 249.028166 152.5
[M]+ 228.05295142 145.8
[M]- 228.05404858 145.8
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

patents stripe