CID 20836253

N,n-dimethyl-3,4,5-trimethoxythiocinnamamide

Structural Information

Molecular Formula
C14H19NO3S
SMILES
CN(C)C(=S)/C=C/C1=CC(=C(C(=C1)OC)OC)OC
InChI
InChI=1S/C14H19NO3S/c1-15(2)13(19)7-6-10-8-11(16-3)14(18-5)12(9-10)17-4/h6-9H,1-5H3/b7-6+
InChIKey
NOSZBYRZNXENKF-VOTSOKGWSA-N
Compound name
(E)-N,N-dimethyl-3-(3,4,5-trimethoxyphenyl)prop-2-enethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.10855 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11583 165.9
[M+Na]+ 304.09777 176.5
[M+NH4]+ 299.14237 172.8
[M+K]+ 320.07171 168.9
[M-H]- 280.10127 167.7
[M+Na-2H]- 302.08322 169.9
[M]+ 281.10800 168.2
[M]- 281.10910 168.2
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

No patent data available for this compound.