CID 89133

21988-58-9

Structural Information

Molecular Formula
C11H26N2O6P2S
SMILES
CCOP(=O)(NCCSP(=O)(N1CCOCC1)OC)OCC
InChI
InChI=1S/C11H26N2O6P2S/c1-4-18-20(14,19-5-2)12-6-11-22-21(15,16-3)13-7-9-17-10-8-13/h4-11H2,1-3H3,(H,12,14)
InChIKey
AXKWCIGQVURTDC-UHFFFAOYSA-N
Compound name
N-diethoxyphosphoryl-2-[methoxy(morpholin-4-yl)phosphoryl]sulfanylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.0987 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.10598 182.9
[M+Na]+ 399.08792 184.1
[M-H]- 375.09142 181.6
[M+NH4]+ 394.13252 192.7
[M+K]+ 415.06186 185.3
[M+H-H2O]+ 359.09596 170.2
[M+HCOO]- 421.09690 205.7
[M+CH3COO]- 435.11255 215.7
[M+Na-2H]- 397.07337 183.1
[M]+ 376.09815 189.2
[M]- 376.09925 189.2
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.