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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	297.045916	164.9
[M+Na]+	319.027858	173.9
[M-H]-	295.031364	171.0
[M+NH4]+	314.072463	182.1
[M+K]+	335.001798	168.7
[M+H-H2O]+	279.035900	158.2
[M+HCOO]-	341.036841	180.1
[M+CH3COO]-	355.052491	199.4
[M+Na-2H]-	317.013306	165.5
[M]+	296.03809142	170.8
[M]-	296.03918858	170.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.