CID 3763861

726157-04-6

Structural Information

Molecular Formula
C19H17ClN2OS
SMILES
CC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)CCl)C3=CC=C(C=C3)C
InChI
InChI=1S/C19H17ClN2OS/c1-12-3-7-14(8-4-12)17-18(15-9-5-13(2)6-10-15)24-19(22-17)21-16(23)11-20/h3-10H,11H2,1-2H3,(H,21,22,23)
InChIKey
SLSYUZOHVBOZMU-UHFFFAOYSA-N
Compound name
N-[4,5-bis(4-methylphenyl)-1,3-thiazol-2-yl]-2-chloroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.075 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.08228 183.4
[M+Na]+ 379.06422 193.1
[M-H]- 355.06772 192.8
[M+NH4]+ 374.10882 198.3
[M+K]+ 395.03816 185.6
[M+H-H2O]+ 339.07226 175.6
[M+HCOO]- 401.07320 197.8
[M+CH3COO]- 415.08885 194.7
[M+Na-2H]- 377.04967 181.9
[M]+ 356.07445 188.5
[M]- 356.07555 188.5
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.