CID 3032708

Carbamic acid, (3,4-dimethoxyphenethyl)dithio-, allyl ester

Structural Information

Molecular Formula
C14H19NO2S2
SMILES
COC1=C(C=C(C=C1)CCNC(=S)SCC=C)OC
InChI
InChI=1S/C14H19NO2S2/c1-4-9-19-14(18)15-8-7-11-5-6-12(16-2)13(10-11)17-3/h4-6,10H,1,7-9H2,2-3H3,(H,15,18)
InChIKey
VWOJIZKEYOJFMP-UHFFFAOYSA-N
Compound name
prop-2-enyl N-[2-(3,4-dimethoxyphenyl)ethyl]carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.08572 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.09300 165.9
[M+Na]+ 320.07494 172.1
[M-H]- 296.07844 168.7
[M+NH4]+ 315.11954 181.8
[M+K]+ 336.04888 166.3
[M+H-H2O]+ 280.08298 158.8
[M+HCOO]- 342.08392 178.2
[M+CH3COO]- 356.09957 203.5
[M+Na-2H]- 318.06039 164.5
[M]+ 297.08517 170.9
[M]- 297.08627 170.9
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.