CID 2512677

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

Structural Information

Molecular Formula
C13H13ClN2O2S
SMILES
CC(=O)N(C1=CC=CC=C1OC)C2=NC(=CS2)CCl
InChI
InChI=1S/C13H13ClN2O2S/c1-9(17)16(13-15-10(7-14)8-19-13)11-5-3-4-6-12(11)18-2/h3-6,8H,7H2,1-2H3
InChIKey
HDFBSKTWAIWYMH-UHFFFAOYSA-N
Compound name
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.03864 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.04592 164.9
[M+Na]+ 319.02786 177.4
[M+NH4]+ 314.07246 173.3
[M+K]+ 335.00180 170.5
[M-H]- 295.03136 168.6
[M+Na-2H]- 317.01331 171.9
[M]+ 296.03809 168.4
[M]- 296.03919 168.4
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

No patent data available for this compound.