CID 214658

Brn 1080281

Structural Information

Molecular Formula
C8H15N2O3PS2
SMILES
CCCC1=NN=C(O1)CSP(=S)(OC)OC
InChI
InChI=1S/C8H15N2O3PS2/c1-4-5-7-9-10-8(13-7)6-16-14(15,11-2)12-3/h4-6H2,1-3H3
InChIKey
AZQIZXIPBKKUBH-UHFFFAOYSA-N
Compound name
dimethoxy-[(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

282.02618 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.03346 156.5
[M+Na]+ 305.01540 165.2
[M-H]- 281.01890 157.3
[M+NH4]+ 300.06000 172.0
[M+K]+ 320.98934 163.7
[M+H-H2O]+ 265.02344 147.7
[M+HCOO]- 327.02438 173.4
[M+CH3COO]- 341.04003 195.8
[M+Na-2H]- 303.00085 154.8
[M]+ 282.02563 164.9
[M]- 282.02673 164.9
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.