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 153.4
[M+Na]+ 258.05592 161.1
[M-H]- 234.05942 160.7
[M+NH4]+ 253.10052 172.6
[M+K]+ 274.02986 160.8
[M+H-H2O]+ 218.06396 148.1
[M+HCOO]- 280.06490 170.7
[M+CH3COO]- 294.08055 193.3
[M+Na-2H]- 256.04137 156.3
[M]+ 235.06615 157.6
[M]- 235.06725 157.6
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.