CID 3068069

2-(3,4-dimethoxyphenyl)-4-methylthiazole-5-carboxamide

Structural Information

Molecular Formula
C13H14N2O3S
SMILES
CC1=C(SC(=N1)C2=CC(=C(C=C2)OC)OC)C(=O)N
InChI
InChI=1S/C13H14N2O3S/c1-7-11(12(14)16)19-13(15-7)8-4-5-9(17-2)10(6-8)18-3/h4-6H,1-3H3,(H2,14,16)
InChIKey
KUUQMVAMUVEWCA-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

278.0725 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.079776 161.4
[M+Na]+ 301.061718 171.1
[M-H]- 277.065224 167.7
[M+NH4]+ 296.106323 178.5
[M+K]+ 317.035658 167.7
[M+H-H2O]+ 261.069760 154.3
[M+HCOO]- 323.070701 180.6
[M+CH3COO]- 337.086351 200.4
[M+Na-2H]- 299.047166 160.3
[M]+ 278.07195142 166.6
[M]- 278.07304858 166.6
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