CID 214657

Brn 1081417

Structural Information

Molecular Formula
C9H17N2O3PS2
SMILES
CCC1=NN=C(O1)CSP(=S)(OCC)OCC
InChI
InChI=1S/C9H17N2O3PS2/c1-4-8-10-11-9(14-8)7-17-15(16,12-5-2)13-6-3/h4-7H2,1-3H3
InChIKey
HBUVEAGWKZFIFO-UHFFFAOYSA-N
Compound name
diethoxy-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.0418 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.04908 160.9
[M+Na]+ 319.03102 169.1
[M-H]- 295.03452 161.5
[M+NH4]+ 314.07562 175.8
[M+K]+ 335.00496 167.4
[M+H-H2O]+ 279.03906 151.9
[M+HCOO]- 341.04000 177.5
[M+CH3COO]- 355.05565 198.7
[M+Na-2H]- 317.01647 158.8
[M]+ 296.04125 169.6
[M]- 296.04235 169.6
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.