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 203.6
[M+Na]+ 485.04714 211.9
[M-H]- 461.05064 215.9
[M+NH4]+ 480.09174 214.6
[M+K]+ 501.02108 198.7
[M+H-H2O]+ 445.05518 199.8
[M+HCOO]- 507.05612 221.8
[M+CH3COO]- 521.07177 213.9
[M+Na-2H]- 483.03259 203.4
[M]+ 462.05737 220.7
[M]- 462.05847 220.7
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.