CID 54691179

6-benzyl-7-hydroxy-5-oxo-2,3-dihydro-1h-indolizine-8-carboxylic acid

Structural Information

Molecular Formula
C16H15NO4
SMILES
C1CC2=C(C(=C(C(=O)N2C1)CC3=CC=CC=C3)O)C(=O)O
InChI
InChI=1S/C16H15NO4/c18-14-11(9-10-5-2-1-3-6-10)15(19)17-8-4-7-12(17)13(14)16(20)21/h1-3,5-6,18H,4,7-9H2,(H,20,21)
InChIKey
JTUKRGGMTLYMEC-UHFFFAOYSA-N
Compound name
6-benzyl-7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.1001 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.10738 162.7
[M+Na]+ 308.08932 171.3
[M-H]- 284.09282 167.1
[M+NH4]+ 303.13392 178.6
[M+K]+ 324.06326 166.5
[M+H-H2O]+ 268.09736 155.7
[M+HCOO]- 330.09830 181.3
[M+CH3COO]- 344.11395 196.1
[M+Na-2H]- 306.07477 164.4
[M]+ 285.09955 162.7
[M]- 285.10065 162.7
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.