CID 214659

Brn 1081973

Structural Information

Molecular Formula
C10H19N2O3PS2
SMILES
CCCC1=NN=C(O1)CSP(=S)(OCC)OCC
InChI
InChI=1S/C10H19N2O3PS2/c1-4-7-9-11-12-10(15-9)8-18-16(17,13-5-2)14-6-3/h4-8H2,1-3H3
InChIKey
QIEMTVOKIITIPS-UHFFFAOYSA-N
Compound name
diethoxy-[(5-propyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.05746 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.06474 165.2
[M+Na]+ 333.04668 173.0
[M-H]- 309.05018 165.7
[M+NH4]+ 328.09128 179.6
[M+K]+ 349.02062 171.1
[M+H-H2O]+ 293.05472 156.0
[M+HCOO]- 355.05566 181.5
[M+CH3COO]- 369.07131 201.6
[M+Na-2H]- 331.03213 162.7
[M]+ 310.05691 174.3
[M]- 310.05801 174.3
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.