CID 89139

21988-67-0

Structural Information

Molecular Formula
C14H33NO6P2S
SMILES
CCCOP(=O)(OC)SCCNCCP(=O)(OC(C)C)OC(C)C
InChI
InChI=1S/C14H33NO6P2S/c1-7-10-19-23(17,18-6)24-12-9-15-8-11-22(16,20-13(2)3)21-14(4)5/h13-15H,7-12H2,1-6H3
InChIKey
IDOJJLWJNNKBPE-UHFFFAOYSA-N
Compound name
2-di(propan-2-yloxy)phosphoryl-N-[2-[methoxy(propoxy)phosphoryl]sulfanylethyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.1504 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.157676 206.1
[M+Na]+ 428.139618 210.6
[M-H]- 404.143124 201.2
[M+NH4]+ 423.184223 211.5
[M+K]+ 444.113558 204.4
[M+H-H2O]+ 388.147660 190.9
[M+HCOO]- 450.148601 218.9
[M+CH3COO]- 464.164251 226.3
[M+Na-2H]- 426.125066 191.9
[M]+ 405.14985142 205.0
[M]- 405.15094858 205.0
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.