CID 3032778

Carbamic acid, dithioveratryl-, allyl ester

Structural Information

Molecular Formula
C13H17NO2S2
SMILES
COC1=C(C=C(C=C1)CNC(=S)SCC=C)OC
InChI
InChI=1S/C13H17NO2S2/c1-4-7-18-13(17)14-9-10-5-6-11(15-2)12(8-10)16-3/h4-6,8H,1,7,9H2,2-3H3,(H,14,17)
InChIKey
VRXVBDXUUUCICH-UHFFFAOYSA-N
Compound name
prop-2-enyl N-[(3,4-dimethoxyphenyl)methyl]carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.07007 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.07735 163.6
[M+Na]+ 306.05929 173.4
[M+NH4]+ 301.10389 171.2
[M+K]+ 322.03323 163.2
[M-H]- 282.06279 165.7
[M+Na-2H]- 304.04474 167.3
[M]+ 283.06952 166.4
[M]- 283.07062 166.4
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.