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 170.2
[M+Na]+ 320.10558 174.1
[M-H]- 296.10908 168.4
[M+NH4]+ 315.15018 186.2
[M+K]+ 336.07952 172.7
[M+H-H2O]+ 280.11362 161.3
[M+HCOO]- 342.11456 192.2
[M+CH3COO]- 356.13021 204.4
[M+Na-2H]- 318.09103 168.5
[M]+ 297.11581 179.0
[M]- 297.11691 179.0
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.