CID 1585099

N-[(5z)-5-(2-chloro-6-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzamide

Structural Information

Molecular Formula
C17H10ClFN2O2S2
SMILES
C1=CC=C(C=C1)C(=O)NN2C(=O)/C(=C/C3=C(C=CC=C3Cl)F)/SC2=S
InChI
InChI=1S/C17H10ClFN2O2S2/c18-12-7-4-8-13(19)11(12)9-14-16(23)21(17(24)25-14)20-15(22)10-5-2-1-3-6-10/h1-9H,(H,20,22)/b14-9-
InChIKey
UDLPJUOAVQIWIS-ZROIWOOFSA-N
Compound name
N-[(5Z)-5-[(2-chloro-6-fluorophenyl)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

391.98563 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.99291 186.1
[M+Na]+ 414.97485 196.1
[M-H]- 390.97835 193.7
[M+NH4]+ 410.01945 199.6
[M+K]+ 430.94879 186.8
[M+H-H2O]+ 374.98289 179.0
[M+HCOO]- 436.98383 192.7
[M+CH3COO]- 450.99948 195.9
[M+Na-2H]- 412.96030 181.7
[M]+ 391.98508 187.5
[M]- 391.98618 187.5
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.