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 148.0
[M+Na]+ 244.04028 156.1
[M-H]- 220.04378 154.0
[M+NH4]+ 239.08488 167.2
[M+K]+ 260.01422 154.6
[M+H-H2O]+ 204.04832 143.0
[M+HCOO]- 266.04926 165.3
[M+CH3COO]- 280.06491 186.9
[M+Na-2H]- 242.02573 152.2
[M]+ 221.05051 150.7
[M]- 221.05161 150.7
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.