CID 899301

3-chloro-n-(4-methyl-1,3-thiazol-2-yl)benzamide

Structural Information

Molecular Formula
C11H9ClN2OS
SMILES
CC1=CSC(=N1)NC(=O)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C11H9ClN2OS/c1-7-6-16-11(13-7)14-10(15)8-3-2-4-9(12)5-8/h2-6H,1H3,(H,13,14,15)
InChIKey
MXGUAAMFCPDOEZ-UHFFFAOYSA-N
Compound name
3-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

252.0124 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.019676 153.1
[M+Na]+ 275.001618 163.1
[M-H]- 251.005124 159.5
[M+NH4]+ 270.046223 172.1
[M+K]+ 290.975558 157.8
[M+H-H2O]+ 235.009660 146.9
[M+HCOO]- 297.010601 168.6
[M+CH3COO]- 311.026251 191.5
[M+Na-2H]- 272.987066 154.5
[M]+ 252.01185142 156.9
[M]- 252.01294858 156.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe