CID 3068071

82875-40-9

Structural Information

Molecular Formula
C16H20N2O3S
SMILES
CCCNC(=O)C1=C(N=C(S1)C2=CC(=C(C=C2)OC)OC)C
InChI
InChI=1S/C16H20N2O3S/c1-5-8-17-15(19)14-10(2)18-16(22-14)11-6-7-12(20-3)13(9-11)21-4/h6-7,9H,5,8H2,1-4H3,(H,17,19)
InChIKey
LWLNFNPLZXYXMZ-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)-4-methyl-N-propyl-1,3-thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

320.11948 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.12676 174.5
[M+Na]+ 343.10870 182.9
[M-H]- 319.11220 180.8
[M+NH4]+ 338.15330 190.2
[M+K]+ 359.08264 179.2
[M+H-H2O]+ 303.11674 166.8
[M+HCOO]- 365.11768 193.4
[M+CH3COO]- 379.13333 209.2
[M+Na-2H]- 341.09415 173.0
[M]+ 320.11893 181.7
[M]- 320.12003 181.7
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