CID 3068067

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

Structural Information

Molecular Formula
C15H18N2O4S
SMILES
CC1=C(SC(=N1)C2=CC(=C(C(=C2)OC)OC)OC)C(=O)NC
InChI
InChI=1S/C15H18N2O4S/c1-8-13(14(18)16-2)22-15(17-8)9-6-10(19-3)12(21-5)11(7-9)20-4/h6-7H,1-5H3,(H,16,18)
InChIKey
KJCOCIRKXVZOFV-UHFFFAOYSA-N
Compound name
N,4-dimethyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

322.09872 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.105996 172.8
[M+Na]+ 345.087938 182.2
[M-H]- 321.091444 179.6
[M+NH4]+ 340.132543 188.6
[M+K]+ 361.061878 179.4
[M+H-H2O]+ 305.095980 165.4
[M+HCOO]- 367.096921 192.1
[M+CH3COO]- 381.112571 209.7
[M+Na-2H]- 343.073386 171.3
[M]+ 322.09817142 181.4
[M]- 322.09926858 181.4
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