CID 207963

31299-85-1

Structural Information

Molecular Formula
C13H15ClN2S
SMILES
CC1=C(SC(=N1)NCC2=CC=CC=C2)CCCl
InChI
InChI=1S/C13H15ClN2S/c1-10-12(7-8-14)17-13(16-10)15-9-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H,15,16)
InChIKey
ADWJRLWNBKRIBE-UHFFFAOYSA-N
Compound name
N-benzyl-5-(2-chloroethyl)-4-methyl-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.06445 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.07173 159.3
[M+Na]+ 289.05367 173.0
[M+NH4]+ 284.09827 169.0
[M+K]+ 305.02761 163.7
[M-H]- 265.05717 164.2
[M+Na-2H]- 287.03912 167.3
[M]+ 266.06390 163.5
[M]- 266.06500 163.5
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.