CID 215553

Brn 2286929

Structural Information

Molecular Formula
C14H30NO4PS
SMILES
CCCCN(CCCC)C(=O)CSP(=O)(OCC)OCC
InChI
InChI=1S/C14H30NO4PS/c1-5-9-11-15(12-10-6-2)14(16)13-21-20(17,18-7-3)19-8-4/h5-13H2,1-4H3
InChIKey
HAECVHNQJMZILX-UHFFFAOYSA-N
Compound name
N,N-dibutyl-2-diethoxyphosphorylsulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.16333 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.17061 183.6
[M+Na]+ 362.15255 186.4
[M-H]- 338.15605 182.8
[M+NH4]+ 357.19715 198.5
[M+K]+ 378.12649 185.7
[M+H-H2O]+ 322.16059 174.0
[M+HCOO]- 384.16153 205.1
[M+CH3COO]- 398.17718 216.7
[M+Na-2H]- 360.13800 179.9
[M]+ 339.16278 194.8
[M]- 339.16388 194.8
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.