CID 3008024

2-dimethylaminoethyl n-[(4-tert-butylphenyl)methyl]carbamodithioate

Structural Information

Molecular Formula
C16H26N2S2
SMILES
CC(C)(C)C1=CC=C(C=C1)CNC(=S)SCCN(C)C
InChI
InChI=1S/C16H26N2S2/c1-16(2,3)14-8-6-13(7-9-14)12-17-15(19)20-11-10-18(4)5/h6-9H,10-12H2,1-5H3,(H,17,19)
InChIKey
JGFZKQOCMMCNAD-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl N-[(4-tert-butylphenyl)methyl]carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

310.15375 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.16103 173.5
[M+Na]+ 333.14297 177.6
[M-H]- 309.14647 177.1
[M+NH4]+ 328.18757 189.2
[M+K]+ 349.11691 172.8
[M+H-H2O]+ 293.15101 165.8
[M+HCOO]- 355.15195 184.3
[M+CH3COO]- 369.16760 213.0
[M+Na-2H]- 331.12842 172.3
[M]+ 310.15320 176.6
[M]- 310.15430 176.6
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.