CID 1909135

372975-62-7

Structural Information

Molecular Formula
C18H17ClN2OS
SMILES
COCCN1C(=CSC1=NC2=CC=CC=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H17ClN2OS/c1-22-12-11-21-17(14-7-9-15(19)10-8-14)13-23-18(21)20-16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3
InChIKey
YIIXNFPPVSHCNJ-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-3-(2-methoxyethyl)-N-phenyl-1,3-thiazol-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.075 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.08228 179.8
[M+Na]+ 367.06422 190.0
[M-H]- 343.06772 190.2
[M+NH4]+ 362.10882 195.7
[M+K]+ 383.03816 182.9
[M+H-H2O]+ 327.07226 171.3
[M+HCOO]- 389.07320 197.0
[M+CH3COO]- 403.08885 191.9
[M+Na-2H]- 365.04967 180.7
[M]+ 344.07445 186.4
[M]- 344.07555 186.4
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.