CID 7131312

N-[2-hydroxy-5-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide hydrochloride

Structural Information

Molecular Formula
C12H12N2O2S
SMILES
CC1=NC(=CS1)C2=CC(=C(C=C2)O)NC(=O)C
InChI
InChI=1S/C12H12N2O2S/c1-7(15)13-10-5-9(3-4-12(10)16)11-6-17-8(2)14-11/h3-6,16H,1-2H3,(H,13,15)
InChIKey
JWMCGGXFFCYBOF-UHFFFAOYSA-N
Compound name
N-[2-hydroxy-5-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.06195 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.069226 153.9
[M+Na]+ 271.051168 163.1
[M-H]- 247.054674 159.2
[M+NH4]+ 266.095773 171.7
[M+K]+ 287.025108 158.9
[M+H-H2O]+ 231.059210 147.3
[M+HCOO]- 293.060151 172.5
[M+CH3COO]- 307.075801 191.5
[M+Na-2H]- 269.036616 154.4
[M]+ 248.06140142 156.1
[M]- 248.06249858 156.1
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.