CID 2868155

148930-27-2

Structural Information

Molecular Formula
C18H15NO4
SMILES
C1=CC=C(C=C1)C2C(=C(C(=O)N2C3=CC=CC=C3)O)CC(=O)O
InChI
InChI=1S/C18H15NO4/c20-15(21)11-14-16(12-7-3-1-4-8-12)19(18(23)17(14)22)13-9-5-2-6-10-13/h1-10,16,22H,11H2,(H,20,21)
InChIKey
CPQWYQYYKHMQNJ-UHFFFAOYSA-N
Compound name
2-(4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrol-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

309.1001 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.107376 169.8
[M+Na]+ 332.089318 177.4
[M-H]- 308.092824 176.4
[M+NH4]+ 327.133923 183.3
[M+K]+ 348.063258 172.4
[M+H-H2O]+ 292.097360 161.7
[M+HCOO]- 354.098301 189.4
[M+CH3COO]- 368.113951 200.3
[M+Na-2H]- 330.074766 169.8
[M]+ 309.09955142 169.2
[M]- 309.10064858 169.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.