CID 24836852

Cinnamamide, n-methyl-3,4-methylenedioxythio-

Structural Information

Molecular Formula
C11H11NO2S
SMILES
CNC(=S)/C=C/C1=CC2=C(C=C1)OCO2
InChI
InChI=1S/C11H11NO2S/c1-12-11(15)5-3-8-2-4-9-10(6-8)14-7-13-9/h2-6H,7H2,1H3,(H,12,15)/b5-3+
InChIKey
JPAGBGJUOWRAFP-HWKANZROSA-N
Compound name
(E)-3-(1,3-benzodioxol-5-yl)-N-methylprop-2-enethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.05106 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.05834 148.5
[M+Na]+ 244.04028 159.2
[M+NH4]+ 239.08488 157.1
[M+K]+ 260.01422 153.3
[M-H]- 220.04378 153.2
[M+Na-2H]- 242.02573 151.6
[M]+ 221.05051 151.7
[M]- 221.05161 151.7
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

No patent data available for this compound.