CID 27248

3-acetamidopropyl 2-(decylamino)ethyl disulfide hydrochloride

Structural Information

Molecular Formula
C17H36N2OS2
SMILES
CCCCCCCCCCNCCSSCCCNC(=O)C
InChI
InChI=1S/C17H36N2OS2/c1-3-4-5-6-7-8-9-10-12-18-14-16-22-21-15-11-13-19-17(2)20/h18H,3-16H2,1-2H3,(H,19,20)
InChIKey
MCARTCYLSPTXAJ-UHFFFAOYSA-N
Compound name
N-[3-[2-(decylamino)ethyldisulfanyl]propyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.2269 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.23418 183.6
[M+Na]+ 371.21612 184.0
[M-H]- 347.21962 181.0
[M+NH4]+ 366.26072 196.6
[M+K]+ 387.19006 178.0
[M+H-H2O]+ 331.22416 175.1
[M+HCOO]- 393.22510 193.5
[M+CH3COO]- 407.24075 218.9
[M+Na-2H]- 369.20157 179.9
[M]+ 348.22635 189.6
[M]- 348.22745 189.6
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.