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

5
Patents

322.09872 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.10600 172.8
[M+Na]+ 345.08794 182.2
[M-H]- 321.09144 179.6
[M+NH4]+ 340.13254 188.6
[M+K]+ 361.06188 179.4
[M+H-H2O]+ 305.09598 165.4
[M+HCOO]- 367.09692 192.1
[M+CH3COO]- 381.11257 209.7
[M+Na-2H]- 343.07339 171.3
[M]+ 322.09817 181.4
[M]- 322.09927 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