CID 3008019

2-(decylamino)ethyl n-benzylcarbamodithioate

Structural Information

Molecular Formula
C20H34N2S2
SMILES
CCCCCCCCCCNCCSC(=S)NCC1=CC=CC=C1
InChI
InChI=1S/C20H34N2S2/c1-2-3-4-5-6-7-8-12-15-21-16-17-24-20(23)22-18-19-13-10-9-11-14-19/h9-11,13-14,21H,2-8,12,15-18H2,1H3,(H,22,23)
InChIKey
CEBOVANCRCYKAC-UHFFFAOYSA-N
Compound name
2-(decylamino)ethyl N-benzylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

366.21634 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.22362 186.6
[M+Na]+ 389.20556 187.8
[M-H]- 365.20906 187.3
[M+NH4]+ 384.25016 199.0
[M+K]+ 405.17950 180.0
[M+H-H2O]+ 349.21360 177.8
[M+HCOO]- 411.21454 197.3
[M+CH3COO]- 425.23019 220.5
[M+Na-2H]- 387.19101 184.4
[M]+ 366.21579 190.0
[M]- 366.21689 190.0
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.