CID 53471980

793710-14-2

Structural Information

Molecular Formula
C40H82N2O7P2S4
SMILES
CCCCCCCCOP(=S)(OCCCCCCCC)SCCC(=O)NCOCNC(=O)CCSP(=S)(OCCCCCCCC)OCCCCCCCC
InChI
InChI=1S/C40H82N2O7P2S4/c1-5-9-13-17-21-25-31-46-50(52,47-32-26-22-18-14-10-6-2)54-35-29-39(43)41-37-45-38-42-40(44)30-36-55-51(53,48-33-27-23-19-15-11-7-3)49-34-28-24-20-16-12-8-4/h5-38H2,1-4H3,(H,41,43)(H,42,44)
InChIKey
ZPYXJFWMHVMKNG-UHFFFAOYSA-N
Compound name
3-dioctoxyphosphinothioylsulfanyl-N-[(3-dioctoxyphosphinothioylsulfanylpropanoylamino)methoxymethyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

892.448 Da
Monoisotopic Mass

15.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 893.45528 322.3
[M+Na]+ 915.43722 335.8
[M+NH4]+ 910.48182 330.1
[M+K]+ 931.41116 327.1
[M-H]- 891.44072 312.8
[M+Na-2H]- 913.42267 320.8
[M]+ 892.44745 323.7
[M]- 892.44855 323.7
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.