CID 90129

Brn 2162324

Structural Information

Molecular Formula
C14H33NO6P2S
SMILES
CCCOP(=O)(NCCSP(=O)(OCCC)OCCC)OCCC
InChI
InChI=1S/C14H33NO6P2S/c1-5-10-18-22(16,19-11-6-2)15-9-14-24-23(17,20-12-7-3)21-13-8-4/h5-14H2,1-4H3,(H,15,16)
InChIKey
XCKLLXVLRBVDKH-UHFFFAOYSA-N
Compound name
N-dipropoxyphosphoryl-2-dipropoxyphosphorylsulfanylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.1504 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.157676 207.1
[M+Na]+ 428.139618 210.5
[M-H]- 404.143124 199.1
[M+NH4]+ 423.184223 209.3
[M+K]+ 444.113558 203.4
[M+H-H2O]+ 388.147660 184.8
[M+HCOO]- 450.148601 224.4
[M+CH3COO]- 464.164251 225.0
[M+Na-2H]- 426.125066 191.6
[M]+ 405.14985142 205.5
[M]- 405.15094858 205.5
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.