CID 1382321

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

Structural Information

Molecular Formula
C17H13ClN2O2S
SMILES
CC1=CC=C(C=C1)N2C(=O)CSC2=NC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H13ClN2O2S/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
YFLXKHHPNZNYGP-UHFFFAOYSA-N
Compound name
4-chloro-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

344.03864 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.04592 179.6
[M+Na]+ 367.02786 189.0
[M-H]- 343.03136 190.1
[M+NH4]+ 362.07246 195.3
[M+K]+ 383.00180 182.6
[M+H-H2O]+ 327.03590 171.9
[M+HCOO]- 389.03684 193.9
[M+CH3COO]- 403.05249 191.2
[M+Na-2H]- 365.01331 177.7
[M]+ 344.03809 183.0
[M]- 344.03919 183.0
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.