CID 3066730

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

Structural Information

Molecular Formula
C22H14BrN3O4S
SMILES
C1C(=O)N(C(=NC2=CC=C(C=C2)Br)S1)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4
InChI
InChI=1S/C22H14BrN3O4S/c23-15-6-8-16(9-7-15)24-22-25(20(27)13-31-22)19-11-10-17(26(29)30)12-18(19)21(28)14-4-2-1-3-5-14/h1-12H,13H2
InChIKey
CNRWLJIUNRVMOJ-UHFFFAOYSA-N
Compound name
3-(2-benzoyl-4-nitrophenyl)-2-(4-bromophenyl)imino-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

494.98883 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.99611 202.1
[M+Na]+ 517.97805 209.7
[M-H]- 493.98155 216.7
[M+NH4]+ 513.02265 212.6
[M+K]+ 533.95199 193.2
[M+H-H2O]+ 477.98609 202.5
[M+HCOO]- 539.98703 218.8
[M+CH3COO]- 554.00268 228.1
[M+Na-2H]- 515.96350 204.1
[M]+ 494.98828 219.7
[M]- 494.98938 219.7
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.