CID 3008021

2-dimethylaminoethyl n-(p-tolylmethyl)carbamodithioate

Structural Information

Molecular Formula
C13H20N2S2
SMILES
CC1=CC=C(C=C1)CNC(=S)SCCN(C)C
InChI
InChI=1S/C13H20N2S2/c1-11-4-6-12(7-5-11)10-14-13(16)17-9-8-15(2)3/h4-7H,8-10H2,1-3H3,(H,14,16)
InChIKey
FXPSOEFIGUARIM-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl N-[(4-methylphenyl)methyl]carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

268.10678 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.11406 159.7
[M+Na]+ 291.09600 164.9
[M-H]- 267.09950 163.7
[M+NH4]+ 286.14060 177.0
[M+K]+ 307.06994 160.2
[M+H-H2O]+ 251.10404 152.2
[M+HCOO]- 313.10498 172.9
[M+CH3COO]- 327.12063 204.5
[M+Na-2H]- 289.08145 159.1
[M]+ 268.10623 162.4
[M]- 268.10733 162.4
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.