CID 3068075

5-thiazolecarboxamide, 2-(4-methoxyphenyl)-4-methyl-

Structural Information

Molecular Formula
C12H12N2O2S
SMILES
CC1=C(SC(=N1)C2=CC=C(C=C2)OC)C(=O)N
InChI
InChI=1S/C12H12N2O2S/c1-7-10(11(13)15)17-12(14-7)8-3-5-9(16-2)6-4-8/h3-6H,1-2H3,(H2,13,15)
InChIKey
GEXIUKNFKXMXHI-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

248.06195 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.069226 153.9
[M+Na]+ 271.051168 163.5
[M-H]- 247.054674 160.1
[M+NH4]+ 266.095773 172.1
[M+K]+ 287.025108 159.8
[M+H-H2O]+ 231.059210 147.0
[M+HCOO]- 293.060151 173.4
[M+CH3COO]- 307.075801 194.0
[M+Na-2H]- 269.036616 153.8
[M]+ 248.06140142 157.0
[M]- 248.06249858 157.0
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

patents stripe