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

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 145.9
[M+Na]+ 251.04272 157.2
[M-H]- 227.04622 146.2
[M+NH4]+ 246.08732 163.4
[M+K]+ 267.01666 151.2
[M+H-H2O]+ 211.05076 139.7
[M+HCOO]- 273.05170 164.1
[M+CH3COO]- 287.06735 158.2
[M+Na-2H]- 249.02817 152.5
[M]+ 228.05295 145.8
[M]- 228.05405 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