CID 198296

Brn 0825180

Structural Information

Molecular Formula
C14H25N2O4PS
SMILES
CCOP(=S)(OCC)OC1=NN=C(C=C1)OC(C)CC(C)C
InChI
InChI=1S/C14H25N2O4PS/c1-6-17-21(22,18-7-2)20-14-9-8-13(15-16-14)19-12(5)10-11(3)4/h8-9,11-12H,6-7,10H2,1-5H3
InChIKey
ZXMFDUSSIIMFRL-UHFFFAOYSA-N
Compound name
diethoxy-[6-(4-methylpentan-2-yloxy)pyridazin-3-yl]oxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.12726 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.13454 179.6
[M+Na]+ 371.11648 188.0
[M+NH4]+ 366.16108 184.0
[M+K]+ 387.09042 182.6
[M-H]- 347.11998 177.6
[M+Na-2H]- 369.10193 181.7
[M]+ 348.12671 180.4
[M]- 348.12781 180.4
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.