CID 1382320

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

Structural Information

Molecular Formula
C17H14N2O2S
SMILES
CC1=CC=C(C=C1)N2C(=O)CSC2=NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C17H14N2O2S/c1-12-7-9-14(10-8-12)19-15(20)11-22-17(19)18-16(21)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKey
ZVNLBMBNQMWFRY-UHFFFAOYSA-N
Compound name
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

310.0776 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.08488 171.9
[M+Na]+ 333.06682 179.9
[M-H]- 309.07032 182.2
[M+NH4]+ 328.11142 187.9
[M+K]+ 349.04076 175.0
[M+H-H2O]+ 293.07486 163.5
[M+HCOO]- 355.07580 190.9
[M+CH3COO]- 369.09145 183.7
[M+Na-2H]- 331.05227 171.2
[M]+ 310.07705 172.7
[M]- 310.07815 172.7
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.