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]+ 222.058336 148.0
[M+Na]+ 244.040278 156.1
[M-H]- 220.043784 154.0
[M+NH4]+ 239.084883 167.2
[M+K]+ 260.014218 154.6
[M+H-H2O]+ 204.048320 143.0
[M+HCOO]- 266.049261 165.3
[M+CH3COO]- 280.064911 186.9
[M+Na-2H]- 242.025726 152.2
[M]+ 221.05051142 150.7
[M]- 221.05160858 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.