CID 118434

Propanamide, 3,3'-dithiobis[n-octyl-

Structural Information

Molecular Formula
C22H44N2O2S2
SMILES
CCCCCCCCNC(=O)CCSSCCC(=O)NCCCCCCCC
InChI
InChI=1S/C22H44N2O2S2/c1-3-5-7-9-11-13-17-23-21(25)15-19-27-28-20-16-22(26)24-18-14-12-10-8-6-4-2/h3-20H2,1-2H3,(H,23,25)(H,24,26)
InChIKey
NQSLUQLRQBLHJD-UHFFFAOYSA-N
Compound name
N-octyl-3-[[3-(octylamino)-3-oxopropyl]disulfanyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

432.28442 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.29170 207.3
[M+Na]+ 455.27364 205.3
[M-H]- 431.27714 203.6
[M+NH4]+ 450.31824 216.7
[M+K]+ 471.24758 198.6
[M+H-H2O]+ 415.28168 197.9
[M+HCOO]- 477.28262 215.0
[M+CH3COO]- 491.29827 234.4
[M+Na-2H]- 453.25909 200.8
[M]+ 432.28387 215.1
[M]- 432.28497 215.1
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

patents stripe