CID 216829

Brn 2282143

Structural Information

Molecular Formula
C12H26NO3PS2
SMILES
CCOP(=S)(OCC)SCC(=O)N(C(C)C)C(C)C
InChI
InChI=1S/C12H26NO3PS2/c1-7-15-17(18,16-8-2)19-9-12(14)13(10(3)4)11(5)6/h10-11H,7-9H2,1-6H3
InChIKey
IULJDTZHQAGEQH-UHFFFAOYSA-N
Compound name
2-diethoxyphosphinothioylsulfanyl-N,N-di(propan-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.10916 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.11644 173.4
[M+Na]+ 350.09838 175.9
[M-H]- 326.10188 172.6
[M+NH4]+ 345.14298 188.6
[M+K]+ 366.07232 174.6
[M+H-H2O]+ 310.10642 164.0
[M+HCOO]- 372.10736 187.4
[M+CH3COO]- 386.12301 214.5
[M+Na-2H]- 348.08383 167.2
[M]+ 327.10861 181.3
[M]- 327.10971 181.3
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.