CID 1934432

Akos000323219

Structural Information

Molecular Formula
C17H11ClN2O2S2
SMILES
C1=CC=C(C=C1)C(=O)NN2C(=O)/C(=C\C3=CC=C(C=C3)Cl)/SC2=S
InChI
InChI=1S/C17H11ClN2O2S2/c18-13-8-6-11(7-9-13)10-14-16(22)20(17(23)24-14)19-15(21)12-4-2-1-3-5-12/h1-10H,(H,19,21)/b14-10+
InChIKey
MDHBIUIQMGWWTL-GXDHUFHOSA-N
Compound name
N-[(5E)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.99506 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.00234 184.7
[M+Na]+ 396.98428 194.0
[M-H]- 372.98778 193.4
[M+NH4]+ 392.02888 198.7
[M+K]+ 412.95822 185.1
[M+H-H2O]+ 356.99232 178.3
[M+HCOO]- 418.99326 192.3
[M+CH3COO]- 433.00891 194.7
[M+Na-2H]- 394.96973 181.3
[M]+ 373.99451 186.5
[M]- 373.99561 186.5
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.