CID 287678

57764-77-9

Structural Information

Molecular Formula
C17H12N2O3
SMILES
CC1=C(C=C2C3=NC4=CC=CC=C4C=C3CN2C1=O)C(=O)O
InChI
InChI=1S/C17H12N2O3/c1-9-12(17(21)22)7-14-15-11(8-19(14)16(9)20)6-10-4-2-3-5-13(10)18-15/h2-7H,8H2,1H3,(H,21,22)
InChIKey
XGIBTYXPRKINBT-UHFFFAOYSA-N
Compound name
8-methyl-9-oxo-11H-indolizino[1,2-b]quinoline-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.08478 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.09206 165.2
[M+Na]+ 315.07400 177.0
[M-H]- 291.07750 168.9
[M+NH4]+ 310.11860 182.5
[M+K]+ 331.04794 171.1
[M+H-H2O]+ 275.08204 157.6
[M+HCOO]- 337.08298 182.7
[M+CH3COO]- 351.09863 177.2
[M+Na-2H]- 313.05945 170.2
[M]+ 292.08423 168.3
[M]- 292.08533 168.3
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.