CID 3073461

148930-15-8

Structural Information

Molecular Formula
C24H17Br2ClN2O3
SMILES
C1=CC(=CC=C1C2C(=C(C(=O)N2C3=CC=C(C=C3)Br)NC4=CC=C(C=C4)Br)CC(=O)O)Cl
InChI
InChI=1S/C24H17Br2ClN2O3/c25-15-3-9-18(10-4-15)28-22-20(13-21(30)31)23(14-1-7-17(27)8-2-14)29(24(22)32)19-11-5-16(26)6-12-19/h1-12,23,28H,13H2,(H,30,31)
InChIKey
YWXLBGLXRGESIC-UHFFFAOYSA-N
Compound name
2-[4-(4-bromoanilino)-1-(4-bromophenyl)-2-(4-chlorophenyl)-5-oxo-2H-pyrrol-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

573.92944 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 574.93672 207.2
[M+Na]+ 596.91866 216.2
[M-H]- 572.92216 218.8
[M+NH4]+ 591.96326 217.2
[M+K]+ 612.89260 199.4
[M+H-H2O]+ 556.92670 212.7
[M+HCOO]- 618.92764 216.7
[M+CH3COO]- 632.94329 216.7
[M+Na-2H]- 594.90411 205.8
[M]+ 573.92889 242.1
[M]- 573.92999 242.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.