CID 3008027

2-dimethylaminoethyl n-[(4-methoxyphenyl)methyl]carbamodithioate

Structural Information

Molecular Formula
C13H20N2OS2
SMILES
CN(C)CCSC(=S)NCC1=CC=C(C=C1)OC
InChI
InChI=1S/C13H20N2OS2/c1-15(2)8-9-18-13(17)14-10-11-4-6-12(16-3)7-5-11/h4-7H,8-10H2,1-3H3,(H,14,17)
InChIKey
SIORKNBCODUATB-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl N-[(4-methoxyphenyl)methyl]carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

284.1017 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.10898 163.6
[M+Na]+ 307.09092 168.5
[M-H]- 283.09442 167.4
[M+NH4]+ 302.13552 180.0
[M+K]+ 323.06486 164.2
[M+H-H2O]+ 267.09896 155.8
[M+HCOO]- 329.09990 177.0
[M+CH3COO]- 343.11555 206.5
[M+Na-2H]- 305.07637 163.1
[M]+ 284.10115 167.6
[M]- 284.10225 167.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.