CID 1382322

4-bromo-n-(3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene)benzamide

Structural Information

Molecular Formula
C17H13BrN2O2S
SMILES
CC1=CC=C(C=C1)N2C(=O)CSC2=NC(=O)C3=CC=C(C=C3)Br
InChI
InChI=1S/C17H13BrN2O2S/c1-11-2-8-14(9-3-11)20-15(21)10-23-17(20)19-16(22)12-4-6-13(18)7-5-12/h2-9H,10H2,1H3
InChIKey
INMPWYSCPZJUTM-UHFFFAOYSA-N
Compound name
4-bromo-N-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.9881 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.99538 174.9
[M+Na]+ 410.97732 186.6
[M-H]- 386.98082 187.5
[M+NH4]+ 406.02192 191.9
[M+K]+ 426.95126 173.9
[M+H-H2O]+ 370.98536 173.4
[M+HCOO]- 432.98630 191.8
[M+CH3COO]- 447.00195 215.0
[M+Na-2H]- 408.96277 175.6
[M]+ 387.98755 194.8
[M]- 387.98865 194.8
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.