CID 32230

Piperophos

Structural Information

Molecular Formula
C14H28NO3PS2
SMILES
CCCOP(=S)(OCCC)SCC(=O)N1CCCCC1C
InChI
InChI=1S/C14H28NO3PS2/c1-4-10-17-19(20,18-11-5-2)21-12-14(16)15-9-7-6-8-13(15)3/h13H,4-12H2,1-3H3
InChIKey
UNLYSVIDNRIVFJ-UHFFFAOYSA-N
Compound name
2-dipropoxyphosphinothioylsulfanyl-1-(2-methylpiperidin-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

20535
Patents

353.12482 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.13210 177.8
[M+Na]+ 376.11404 180.2
[M-H]- 352.11754 176.7
[M+NH4]+ 371.15864 190.5
[M+K]+ 392.08798 176.7
[M+H-H2O]+ 336.12208 168.1
[M+HCOO]- 398.12302 188.7
[M+CH3COO]- 412.13867 211.0
[M+Na-2H]- 374.09949 172.3
[M]+ 353.12427 181.6
[M]- 353.12537 181.6
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.