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]+ 406.15768 206.1
[M+Na]+ 428.13962 210.6
[M-H]- 404.14312 201.2
[M+NH4]+ 423.18422 211.5
[M+K]+ 444.11356 204.4
[M+H-H2O]+ 388.14766 190.9
[M+HCOO]- 450.14860 218.9
[M+CH3COO]- 464.16425 226.3
[M+Na-2H]- 426.12507 191.9
[M]+ 405.14985 205.0
[M]- 405.15095 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.