CID 198115

Brn 0893035

Structural Information

Molecular Formula
C13H23N2O4PS
SMILES
CCCCCOC1=NN=C(C=C1)OP(=S)(OCC)OCC
InChI
InChI=1S/C13H23N2O4PS/c1-4-7-8-11-16-12-9-10-13(15-14-12)19-20(21,17-5-2)18-6-3/h9-10H,4-8,11H2,1-3H3
InChIKey
MPBQHLHEVDGUJW-UHFFFAOYSA-N
Compound name
diethoxy-(6-pentoxypyridazin-3-yl)oxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

334.1116 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.11888 176.5
[M+Na]+ 357.10082 185.8
[M+NH4]+ 352.14542 181.3
[M+K]+ 373.07476 178.9
[M-H]- 333.10432 174.9
[M+Na-2H]- 355.08627 179.3
[M]+ 334.11105 177.6
[M]- 334.11215 177.6
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

patents stripe