CID 2121621

N-[4-(chloromethyl)-1,3-thiazol-2-yl]-n-(3,4-dimethylphenyl)acetamide

Structural Information

Molecular Formula
C14H15ClN2OS
SMILES
CC1=C(C=C(C=C1)N(C2=NC(=CS2)CCl)C(=O)C)C
InChI
InChI=1S/C14H15ClN2OS/c1-9-4-5-13(6-10(9)2)17(11(3)18)14-16-12(7-15)8-19-14/h4-6,8H,7H2,1-3H3
InChIKey
UXJNYQJFMFFDLO-UHFFFAOYSA-N
Compound name
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(3,4-dimethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.05936 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.06664 166.3
[M+Na]+ 317.04858 176.0
[M-H]- 293.05208 174.1
[M+NH4]+ 312.09318 184.5
[M+K]+ 333.02252 171.4
[M+H-H2O]+ 277.05662 159.6
[M+HCOO]- 339.05756 181.3
[M+CH3COO]- 353.07321 204.9
[M+Na-2H]- 315.03403 164.9
[M]+ 294.05881 172.8
[M]- 294.05991 172.8
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.