CID 2868640

145510-86-7

Structural Information

Molecular Formula
C24H20N2O3
SMILES
C1=CC=C(C=C1)C2C(=C(C(=O)N2C3=CC=CC=C3)NC4=CC=CC=C4)CC(=O)O
InChI
InChI=1S/C24H20N2O3/c27-21(28)16-20-22(25-18-12-6-2-7-13-18)24(29)26(19-14-8-3-9-15-19)23(20)17-10-4-1-5-11-17/h1-15,23,25H,16H2,(H,27,28)
InChIKey
JNLADQBGUSGWRI-UHFFFAOYSA-N
Compound name
2-(4-anilino-5-oxo-1,2-diphenyl-2H-pyrrol-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

384.1474 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.154676 191.3
[M+Na]+ 407.136618 196.9
[M-H]- 383.140124 201.6
[M+NH4]+ 402.181223 201.3
[M+K]+ 423.110558 190.4
[M+H-H2O]+ 367.144660 180.7
[M+HCOO]- 429.145601 212.2
[M+CH3COO]- 443.161251 200.6
[M+Na-2H]- 405.122066 191.3
[M]+ 384.14685142 189.6
[M]- 384.14794858 189.6
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.