CID 6481048

Chembl4461585

Structural Information

Molecular Formula
C11H9ClN2O2S
SMILES
CC1=CSC(=N1)NC(=O)C2=C(C=CC(=C2)Cl)O
InChI
InChI=1S/C11H9ClN2O2S/c1-6-5-17-11(13-6)14-10(16)8-4-7(12)2-3-9(8)15/h2-5,15H,1H3,(H,13,14,16)
InChIKey
WGMMEABTNWQUTO-UHFFFAOYSA-N
Compound name
5-chloro-2-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

268.00732 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.01460 155.9
[M+Na]+ 290.99654 166.1
[M-H]- 267.00004 161.3
[M+NH4]+ 286.04114 173.8
[M+K]+ 306.97048 160.5
[M+H-H2O]+ 251.00458 150.2
[M+HCOO]- 313.00552 170.2
[M+CH3COO]- 327.02117 192.3
[M+Na-2H]- 288.98199 156.5
[M]+ 268.00677 159.7
[M]- 268.00787 159.7
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