CID 216824

Brn 1802591

Structural Information

Molecular Formula
C14H30NO3PS2
SMILES
CCCCN(CCCC)C(=O)CSP(=S)(OCC)OCC
InChI
InChI=1S/C14H30NO3PS2/c1-5-9-11-15(12-10-6-2)14(16)13-21-19(20,17-7-3)18-8-4/h5-13H2,1-4H3
InChIKey
ZSRCUGXSAJPTIV-UHFFFAOYSA-N
Compound name
N,N-dibutyl-2-diethoxyphosphinothioylsulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.14047 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.14775 182.6
[M+Na]+ 378.12969 184.9
[M-H]- 354.13319 181.3
[M+NH4]+ 373.17429 196.9
[M+K]+ 394.10363 182.0
[M+H-H2O]+ 338.13773 172.5
[M+HCOO]- 400.13867 198.2
[M+CH3COO]- 414.15432 218.8
[M+Na-2H]- 376.11514 177.4
[M]+ 355.13992 192.4
[M]- 355.14102 192.4
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.