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 161.7
[M+Na]+ 306.05929 168.3
[M-H]- 282.06279 164.7
[M+NH4]+ 301.10389 178.2
[M+K]+ 322.03323 162.8
[M+H-H2O]+ 266.06733 154.8
[M+HCOO]- 328.06827 174.3
[M+CH3COO]- 342.08392 200.6
[M+Na-2H]- 304.04474 160.8
[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.