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 166.7
[M+Na]+ 326.04892 175.1
[M-H]- 302.05242 175.2
[M+NH4]+ 321.09352 182.4
[M+K]+ 342.02286 169.3
[M+H-H2O]+ 286.05696 157.7
[M+HCOO]- 348.05790 180.9
[M+CH3COO]- 362.07355 178.3
[M+Na-2H]- 324.03437 168.6
[M]+ 303.05915 169.4
[M]- 303.06025 169.4
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

patents stripe