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]+ 385.15468 191.3
[M+Na]+ 407.13662 196.9
[M-H]- 383.14012 201.6
[M+NH4]+ 402.18122 201.3
[M+K]+ 423.11056 190.4
[M+H-H2O]+ 367.14466 180.7
[M+HCOO]- 429.14560 212.2
[M+CH3COO]- 443.16125 200.6
[M+Na-2H]- 405.12207 191.3
[M]+ 384.14685 189.6
[M]- 384.14795 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.