CID 24841724

Brn 1008162

Structural Information

Molecular Formula
C11H21N2O3PS2
SMILES
CCOP(=S)(OCC)SCC1=NN=C(O1)CC(C)C
InChI
InChI=1S/C11H21N2O3PS2/c1-5-14-17(18,15-6-2)19-8-11-13-12-10(16-11)7-9(3)4/h9H,5-8H2,1-4H3
InChIKey
YYWVUYOCDBWTKL-UHFFFAOYSA-N
Compound name
diethoxy-[[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.07312 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.08040 169.8
[M+Na]+ 347.06234 176.7
[M-H]- 323.06584 170.2
[M+NH4]+ 342.10694 183.5
[M+K]+ 363.03628 175.1
[M+H-H2O]+ 307.07038 160.5
[M+HCOO]- 369.07132 184.7
[M+CH3COO]- 383.08697 205.3
[M+Na-2H]- 345.04779 166.0
[M]+ 324.07257 178.7
[M]- 324.07367 178.7
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.