CID 2868636

145510-84-5

Structural Information

Molecular Formula
C24H19BrN2O3
SMILES
C1=CC=C(C=C1)NC2=C(C(N(C2=O)C3=CC=CC=C3)C4=CC=C(C=C4)Br)CC(=O)O
InChI
InChI=1S/C24H19BrN2O3/c25-17-13-11-16(12-14-17)23-20(15-21(28)29)22(26-18-7-3-1-4-8-18)24(30)27(23)19-9-5-2-6-10-19/h1-14,23,26H,15H2,(H,28,29)
InChIKey
JVWXUQOXNQXSLR-UHFFFAOYSA-N
Compound name
2-[4-anilino-2-(4-bromophenyl)-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

462.05792 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.06520 204.8
[M+Na]+ 485.04714 209.5
[M+NH4]+ 480.09174 207.9
[M+K]+ 501.02108 208.9
[M-H]- 461.05064 209.7
[M+Na-2H]- 483.03259 210.2
[M]+ 462.05737 205.7
[M]- 462.05847 205.7
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.