CID 3008020

2-dimethylaminoethyl n-(1-phenylpropyl)carbamodithioate

Structural Information

Molecular Formula
C14H22N2S2
SMILES
CCC(C1=CC=CC=C1)NC(=S)SCCN(C)C
InChI
InChI=1S/C14H22N2S2/c1-4-13(12-8-6-5-7-9-12)15-14(17)18-11-10-16(2)3/h5-9,13H,4,10-11H2,1-3H3,(H,15,17)
InChIKey
RNZUGNMQMURTTN-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl N-(1-phenylpropyl)carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

282.12244 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.12972 164.8
[M+Na]+ 305.11166 168.4
[M-H]- 281.11516 168.3
[M+NH4]+ 300.15626 181.1
[M+K]+ 321.08560 164.0
[M+H-H2O]+ 265.11970 156.9
[M+HCOO]- 327.12064 176.6
[M+CH3COO]- 341.13629 207.2
[M+Na-2H]- 303.09711 163.4
[M]+ 282.12189 166.9
[M]- 282.12299 166.9
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.