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 163.8
[M+Na]+ 304.09777 171.1
[M-H]- 280.10127 169.1
[M+NH4]+ 299.14237 181.2
[M+K]+ 320.07171 169.2
[M+H-H2O]+ 264.10581 156.8
[M+HCOO]- 326.10675 182.7
[M+CH3COO]- 340.12240 205.8
[M+Na-2H]- 302.08322 162.9
[M]+ 281.10800 171.4
[M]- 281.10910 171.4
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

No patent data available for this compound.