CID 3068070

5-thiazolecarboxamide, 2-(3,4-dimethoxyphenyl)-n,4-dimethyl-

Structural Information

Molecular Formula
C14H16N2O3S
SMILES
CC1=C(SC(=N1)C2=CC(=C(C=C2)OC)OC)C(=O)NC
InChI
InChI=1S/C14H16N2O3S/c1-8-12(13(17)15-2)20-14(16-8)9-5-6-10(18-3)11(7-9)19-4/h5-7H,1-4H3,(H,15,17)
InChIKey
QNIHAJJHPNMVJY-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

292.08817 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.095446 165.7
[M+Na]+ 315.077388 175.0
[M-H]- 291.080894 172.3
[M+NH4]+ 310.121993 182.5
[M+K]+ 331.051328 171.7
[M+H-H2O]+ 275.085430 158.4
[M+HCOO]- 337.086371 185.2
[M+CH3COO]- 351.102021 203.3
[M+Na-2H]- 313.062836 165.1
[M]+ 292.08762142 172.1
[M]- 292.08871858 172.1
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

patents stripe