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 165.2
[M+Na]+ 319.02786 174.3
[M-H]- 295.03136 172.8
[M+NH4]+ 314.07246 183.0
[M+K]+ 335.00180 170.5
[M+H-H2O]+ 279.03590 158.3
[M+HCOO]- 341.03684 180.8
[M+CH3COO]- 355.05249 202.8
[M+Na-2H]- 317.01331 165.1
[M]+ 296.03809 172.4
[M]- 296.03919 172.4
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.