CID 9658738

N-(3-(4-br-ph)-5-(3-nitrobenzylidene)-4-oxo-1,3-thiazolidin-2-ylidene)benzamide

Structural Information

Molecular Formula
C23H14BrN3O4S
SMILES
C1=CC=C(C=C1)C(=O)N=C2N(C(=O)/C(=C\C3=CC(=CC=C3)[N+](=O)[O-])/S2)C4=CC=C(C=C4)Br
InChI
InChI=1S/C23H14BrN3O4S/c24-17-9-11-18(12-10-17)26-22(29)20(14-15-5-4-8-19(13-15)27(30)31)32-23(26)25-21(28)16-6-2-1-3-7-16/h1-14H/b20-14+,25-23?
InChIKey
OFLJQNMZYKOHQB-SKYIDQJDSA-N
Compound name
N-[(5E)-3-(4-bromophenyl)-5-[(3-nitrophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.98883 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.99611 206.4
[M+Na]+ 529.97805 214.0
[M-H]- 505.98155 220.9
[M+NH4]+ 525.02265 216.5
[M+K]+ 545.95199 196.8
[M+H-H2O]+ 489.98609 206.7
[M+HCOO]- 551.98703 222.9
[M+CH3COO]- 566.00268 228.8
[M+Na-2H]- 527.96350 207.8
[M]+ 506.98828 223.4
[M]- 506.98938 223.4
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.