CID 1382318

303093-06-3

Structural Information

Molecular Formula
C16H11ClN2O2S
SMILES
C1C(=O)N(C(=NC(=O)C2=CC=C(C=C2)Cl)S1)C3=CC=CC=C3
InChI
InChI=1S/C16H11ClN2O2S/c17-12-8-6-11(7-9-12)15(21)18-16-19(14(20)10-22-16)13-4-2-1-3-5-13/h1-9H,10H2
InChIKey
TYOPUDKGHVMZNS-UHFFFAOYSA-N
Compound name
4-chloro-N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.02298 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.03026 175.3
[M+Na]+ 353.01220 184.3
[M-H]- 329.01570 185.6
[M+NH4]+ 348.05680 191.3
[M+K]+ 368.98614 178.1
[M+H-H2O]+ 313.02024 167.5
[M+HCOO]- 375.02118 189.9
[M+CH3COO]- 389.03683 187.0
[M+Na-2H]- 350.99765 174.5
[M]+ 330.02243 177.9
[M]- 330.02353 177.9
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.