CID 24836849

N,n-dimethyl-3,4-methylenedioxythiocinnamamide

Structural Information

Molecular Formula
C12H13NO2S
SMILES
CN(C)C(=S)/C=C/C1=CC2=C(C=C1)OCO2
InChI
InChI=1S/C12H13NO2S/c1-13(2)12(16)6-4-9-3-5-10-11(7-9)15-8-14-10/h3-7H,8H2,1-2H3/b6-4+
InChIKey
LHHXEAFYCVPMNW-GQCTYLIASA-N
Compound name
(E)-3-(1,3-benzodioxol-5-yl)-N,N-dimethylprop-2-enethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.0667 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.07398 152.8
[M+Na]+ 258.05592 163.5
[M+NH4]+ 253.10052 161.5
[M+K]+ 274.02986 157.9
[M-H]- 234.05942 157.8
[M+Na-2H]- 256.04137 156.0
[M]+ 235.06615 156.2
[M]- 235.06725 156.2
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.