CID 477909

2-(4-bromophenyl)-3-{[4-(4-methoxybenzoylamino)benzoyl]amino}-4-thiazolidone

Structural Information

Molecular Formula
C24H20BrN3O4S
SMILES
COC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)NN3C(SCC3=O)C4=CC=C(C=C4)Br
InChI
InChI=1S/C24H20BrN3O4S/c1-32-20-12-6-15(7-13-20)22(30)26-19-10-4-16(5-11-19)23(31)27-28-21(29)14-33-24(28)17-2-8-18(25)9-3-17/h2-13,24H,14H2,1H3,(H,26,30)(H,27,31)
InChIKey
NFXVGWVTIPMOHP-UHFFFAOYSA-N
Compound name
N-[2-(4-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-[(4-methoxybenzoyl)amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

525.03577 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 526.04305 207.2
[M+Na]+ 548.02499 214.6
[M-H]- 524.02849 220.4
[M+NH4]+ 543.06959 216.8
[M+K]+ 563.99893 202.1
[M+H-H2O]+ 508.03303 203.7
[M+HCOO]- 570.03397 221.6
[M+CH3COO]- 584.04962 239.4
[M+Na-2H]- 546.01044 206.3
[M]+ 525.03522 226.5
[M]- 525.03632 226.5
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.