CID 720854

2-(4-chloro-2-methylphenoxy)-n-(1,3-thiazol-2-yl)acetamide

Structural Information

Molecular Formula
C12H11ClN2O2S
SMILES
CC1=C(C=CC(=C1)Cl)OCC(=O)NC2=NC=CS2
InChI
InChI=1S/C12H11ClN2O2S/c1-8-6-9(13)2-3-10(8)17-7-11(16)15-12-14-4-5-18-12/h2-6H,7H2,1H3,(H,14,15,16)
InChIKey
SIVJBYOPHAOOMT-UHFFFAOYSA-N
Compound name
2-(4-chloro-2-methylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.02298 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.030256 160.5
[M+Na]+ 305.012198 169.9
[M-H]- 281.015704 166.8
[M+NH4]+ 300.056803 178.2
[M+K]+ 320.986138 164.9
[M+H-H2O]+ 265.020240 153.9
[M+HCOO]- 327.021181 176.0
[M+CH3COO]- 341.036831 196.5
[M+Na-2H]- 302.997646 161.6
[M]+ 282.02243142 166.0
[M]- 282.02352858 166.0
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.