CID 163583

89985-06-8

Structural Information

Molecular Formula
C15H14ClN3S
SMILES
C1CSC(=N1)N(CC2=CN=CC=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H14ClN3S/c16-13-3-5-14(6-4-13)19(15-18-8-9-20-15)11-12-2-1-7-17-10-12/h1-7,10H,8-9,11H2
InChIKey
ILWOTMFJWNDQPT-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

303.0597 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.06698 166.0
[M+Na]+ 326.04892 181.1
[M+NH4]+ 321.09352 176.0
[M+K]+ 342.02286 171.8
[M-H]- 302.05242 173.0
[M+Na-2H]- 324.03437 177.0
[M]+ 303.05915 171.0
[M]- 303.06025 171.0
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

patents stripe