CID 3032781

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

Structural Information

Molecular Formula
C13H19NO2S2
SMILES
CCSC(=S)NCCC1=CC(=C(C=C1)OC)OC
InChI
InChI=1S/C13H19NO2S2/c1-4-18-13(17)14-8-7-10-5-6-11(15-2)12(9-10)16-3/h5-6,9H,4,7-8H2,1-3H3,(H,14,17)
InChIKey
GNMOFBSTQDQYAB-UHFFFAOYSA-N
Compound name
ethyl N-[2-(3,4-dimethoxyphenyl)ethyl]carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.08572 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.09300 162.4
[M+Na]+ 308.07494 168.7
[M-H]- 284.07844 165.3
[M+NH4]+ 303.11954 178.8
[M+K]+ 324.04888 163.8
[M+H-H2O]+ 268.08298 155.4
[M+HCOO]- 330.08392 174.8
[M+CH3COO]- 344.09957 201.4
[M+Na-2H]- 306.06039 161.4
[M]+ 285.08517 167.7
[M]- 285.08627 167.7
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.