CID 90125

23497-19-0

Structural Information

Molecular Formula
C16H29NO6P2S
SMILES
CC(C)OP(=O)(N(C)CCSP(=O)(OC)OC1=CC=CC=C1)OC(C)C
InChI
InChI=1S/C16H29NO6P2S/c1-14(2)21-24(18,22-15(3)4)17(5)12-13-26-25(19,20-6)23-16-10-8-7-9-11-16/h7-11,14-15H,12-13H2,1-6H3
InChIKey
BMRMDIRJYLYCKX-UHFFFAOYSA-N
Compound name
N-di(propan-2-yloxy)phosphoryl-2-[methoxy(phenoxy)phosphoryl]sulfanyl-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.11908 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.12636 193.3
[M+Na]+ 448.10830 198.0
[M+NH4]+ 443.15290 196.4
[M+K]+ 464.08224 195.1
[M-H]- 424.11180 190.9
[M+Na-2H]- 446.09375 194.5
[M]+ 425.11853 193.2
[M]- 425.11963 193.2
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.