CID 16228689

N-{[4-(chloromethyl)-1,3-thiazol-2-yl]methyl}benzamide hydrochloride

Structural Information

Molecular Formula
C12H11ClN2OS
SMILES
C1=CC=C(C=C1)C(=O)NCC2=NC(=CS2)CCl
InChI
InChI=1S/C12H11ClN2OS/c13-6-10-8-17-11(15-10)7-14-12(16)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,14,16)
InChIKey
JCHXRUVPRYSTPU-UHFFFAOYSA-N
Compound name
N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.02808 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.03536 157.6
[M+Na]+ 289.01730 170.2
[M+NH4]+ 284.06190 166.5
[M+K]+ 304.99124 162.3
[M-H]- 265.02080 161.5
[M+Na-2H]- 287.00275 165.2
[M]+ 266.02753 161.1
[M]- 266.02863 161.1
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.