CID 54691178

Dtxsid701150976

Structural Information

Molecular Formula
C15H13NO4
SMILES
C1CC2=C(C(=C(C(=O)N2C1)C3=CC=CC=C3)O)C(=O)O
InChI
InChI=1S/C15H13NO4/c17-13-11(9-5-2-1-3-6-9)14(18)16-8-4-7-10(16)12(13)15(19)20/h1-3,5-6,17H,4,7-8H2,(H,19,20)
InChIKey
MSGXEGOMTZJSGB-UHFFFAOYSA-N
Compound name
7-hydroxy-5-oxo-6-phenyl-2,3-dihydro-1H-indolizine-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.08447 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.09175 158.1
[M+Na]+ 294.07369 167.1
[M-H]- 270.07719 162.7
[M+NH4]+ 289.11829 174.6
[M+K]+ 310.04763 162.6
[M+H-H2O]+ 254.08173 151.3
[M+HCOO]- 316.08267 177.0
[M+CH3COO]- 330.09832 193.1
[M+Na-2H]- 292.05914 160.3
[M]+ 271.08392 157.8
[M]- 271.08502 157.8
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

No patent data available for this compound.