CID 3805607

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

Structural Information

Molecular Formula
C13H13ClN2O2S
SMILES
COC1=CC=CC=C1NC(=O)CC2=NC(=CS2)CCl
InChI
InChI=1S/C13H13ClN2O2S/c1-18-11-5-3-2-4-10(11)16-12(17)6-13-15-9(7-14)8-19-13/h2-5,8H,6-7H2,1H3,(H,16,17)
InChIKey
FABYXPPCSPQKEY-UHFFFAOYSA-N
Compound name
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

296.03864 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.04592 164.9
[M+Na]+ 319.02786 173.9
[M-H]- 295.03136 171.0
[M+NH4]+ 314.07246 182.1
[M+K]+ 335.00180 168.7
[M+H-H2O]+ 279.03590 158.2
[M+HCOO]- 341.03684 180.1
[M+CH3COO]- 355.05249 199.4
[M+Na-2H]- 317.01331 165.5
[M]+ 296.03809 170.8
[M]- 296.03919 170.8
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.