CID 89132

21988-57-8

Structural Information

Molecular Formula
C15H27NO5P2S
SMILES
CC(C)OP(=O)(NCCSP(=O)(C1=CC=CC=C1)OC)OC(C)C
InChI
InChI=1S/C15H27NO5P2S/c1-13(2)20-23(18,21-14(3)4)16-11-12-24-22(17,19-5)15-9-7-6-8-10-15/h6-10,13-14H,11-12H2,1-5H3,(H,16,18)
InChIKey
OHALSGVLUGOHKA-UHFFFAOYSA-N
Compound name
N-di(propan-2-yloxy)phosphoryl-2-[methoxy(phenyl)phosphoryl]sulfanylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.10852 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.11580 191.4
[M+Na]+ 418.09774 193.6
[M-H]- 394.10124 191.5
[M+NH4]+ 413.14234 203.2
[M+K]+ 434.07168 192.9
[M+H-H2O]+ 378.10578 178.9
[M+HCOO]- 440.10672 216.8
[M+CH3COO]- 454.12237 222.9
[M+Na-2H]- 416.08319 188.8
[M]+ 395.10797 199.9
[M]- 395.10907 199.9
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.