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 180.3
[M+Na]+ 371.11648 185.2
[M-H]- 347.11998 179.6
[M+NH4]+ 366.16108 191.8
[M+K]+ 387.09042 184.0
[M+H-H2O]+ 331.12452 169.6
[M+HCOO]- 393.12546 198.4
[M+CH3COO]- 407.14111 212.6
[M+Na-2H]- 369.10193 177.7
[M]+ 348.12671 189.6
[M]- 348.12781 189.6
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

No patent data available for this compound.