CID 12065084

503272-05-7

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

8
Patents

228.0535 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.06078 147.0
[M+Na]+ 251.04272 160.5
[M+NH4]+ 246.08732 153.9
[M+K]+ 267.01666 156.9
[M-H]- 227.04622 146.7
[M+Na-2H]- 249.02817 151.4
[M]+ 228.05295 148.5
[M]- 228.05405 148.5
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