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 196.7
[M+Na]+ 448.10830 198.4
[M-H]- 424.11180 198.2
[M+NH4]+ 443.15290 207.9
[M+K]+ 464.08224 199.7
[M+H-H2O]+ 408.11634 183.8
[M+HCOO]- 470.11728 222.5
[M+CH3COO]- 484.13293 231.0
[M+Na-2H]- 446.09375 193.8
[M]+ 425.11853 208.3
[M]- 425.11963 208.3
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.