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]+ 293.09545 165.7
[M+Na]+ 315.07739 175.0
[M-H]- 291.08089 172.3
[M+NH4]+ 310.12199 182.5
[M+K]+ 331.05133 171.7
[M+H-H2O]+ 275.08543 158.4
[M+HCOO]- 337.08637 185.2
[M+CH3COO]- 351.10202 203.3
[M+Na-2H]- 313.06284 165.1
[M]+ 292.08762 172.1
[M]- 292.08872 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