CID 215555

Brn 2277316

Structural Information

Molecular Formula
C11H24NO4PS
SMILES
CCCCOP(=O)(OCCCC)SCC(=O)NC
InChI
InChI=1S/C11H24NO4PS/c1-4-6-8-15-17(14,16-9-7-5-2)18-10-11(13)12-3/h4-10H2,1-3H3,(H,12,13)
InChIKey
DVMXTSBDEMQZKH-UHFFFAOYSA-N
Compound name
2-dibutoxyphosphorylsulfanyl-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.11636 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.12364 169.9
[M+Na]+ 320.10558 175.1
[M+NH4]+ 315.15018 174.4
[M+K]+ 336.07952 169.6
[M-H]- 296.10908 166.7
[M+Na-2H]- 318.09103 169.2
[M]+ 297.11581 169.7
[M]- 297.11691 169.7
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.