CID 3066729

2-((4-bromophenyl)imino)-3-(2-benzoyl-4-chlorophenyl)-4-thiazolidinone

Structural Information

Molecular Formula
C22H14BrClN2O2S
SMILES
C1C(=O)N(C(=NC2=CC=C(C=C2)Br)S1)C3=C(C=C(C=C3)Cl)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C22H14BrClN2O2S/c23-15-6-9-17(10-7-15)25-22-26(20(27)13-29-22)19-11-8-16(24)12-18(19)21(28)14-4-2-1-3-5-14/h1-12H,13H2
InChIKey
GCXMCZNVHJIWMI-UHFFFAOYSA-N
Compound name
3-(2-benzoyl-4-chlorophenyl)-2-(4-bromophenyl)imino-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

483.96478 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.97206 198.5
[M+Na]+ 506.95400 210.6
[M-H]- 482.95750 213.8
[M+NH4]+ 501.99860 212.3
[M+K]+ 522.92794 196.1
[M+H-H2O]+ 466.96204 196.7
[M+HCOO]- 528.96298 210.7
[M+CH3COO]- 542.97863 210.6
[M+Na-2H]- 504.93945 197.9
[M]+ 483.96423 220.1
[M]- 483.96533 220.1
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.