CID 396120

1049970-43-5

Structural Information

Molecular Formula
C19H17ClN2OS
SMILES
COC1=CC=CC=C1N=C2N(C(=CS2)C3=CC=C(C=C3)Cl)CC=C
InChI
InChI=1S/C19H17ClN2OS/c1-3-12-22-17(14-8-10-15(20)11-9-14)13-24-19(22)21-16-6-4-5-7-18(16)23-2/h3-11,13H,1,12H2,2H3
InChIKey
YJXGUOCYDKSVDO-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-N-(2-methoxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.075 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.08228 184.1
[M+Na]+ 379.06422 195.0
[M-H]- 355.06772 194.7
[M+NH4]+ 374.10882 199.7
[M+K]+ 395.03816 187.0
[M+H-H2O]+ 339.07226 175.7
[M+HCOO]- 401.07320 201.1
[M+CH3COO]- 415.08885 196.1
[M+Na-2H]- 377.04967 183.7
[M]+ 356.07445 190.8
[M]- 356.07555 190.8
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.