CID 3068068

5-thiazolecarboxamide, 4-methyl-n-propyl-2-(3,4,5-trimethoxyphenyl)-

Structural Information

Molecular Formula
C17H22N2O4S
SMILES
CCCNC(=O)C1=C(N=C(S1)C2=CC(=C(C(=C2)OC)OC)OC)C
InChI
InChI=1S/C17H22N2O4S/c1-6-7-18-16(20)15-10(2)19-17(24-15)11-8-12(21-3)14(23-5)13(9-11)22-4/h8-9H,6-7H2,1-5H3,(H,18,20)
InChIKey
QCDDOTXBQFZCPU-UHFFFAOYSA-N
Compound name
4-methyl-N-propyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

350.13004 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.13732 181.7
[M+Na]+ 373.11926 190.1
[M-H]- 349.12276 188.1
[M+NH4]+ 368.16386 196.3
[M+K]+ 389.09320 186.9
[M+H-H2O]+ 333.12730 173.9
[M+HCOO]- 395.12824 200.3
[M+CH3COO]- 409.14389 215.6
[M+Na-2H]- 371.10471 179.2
[M]+ 350.12949 190.9
[M]- 350.13059 190.9
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