CID 27246

2-acetamidoethyl 2-(decylamino)ethyl disulfide hydrochloride

Structural Information

Molecular Formula
C16H34N2OS2
SMILES
CCCCCCCCCCNCCSSCCNC(=O)C
InChI
InChI=1S/C16H34N2OS2/c1-3-4-5-6-7-8-9-10-11-17-12-14-20-21-15-13-18-16(2)19/h17H,3-15H2,1-2H3,(H,18,19)
InChIKey
OTHPRRZDNZEAPE-UHFFFAOYSA-N
Compound name
N-[2-[2-(decylamino)ethyldisulfanyl]ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.21124 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.21852 179.7
[M+Na]+ 357.20046 180.5
[M-H]- 333.20396 177.2
[M+NH4]+ 352.24506 193.3
[M+K]+ 373.17440 174.8
[M+H-H2O]+ 317.20850 171.4
[M+HCOO]- 379.20944 189.8
[M+CH3COO]- 393.22509 216.0
[M+Na-2H]- 355.18591 176.4
[M]+ 334.21069 185.3
[M]- 334.21179 185.3
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.