CID 198116

Brn 0893034

Structural Information

Molecular Formula
C13H23N2O4PS
SMILES
CCOP(=S)(OCC)OC1=NN=C(C=C1)OCCC(C)C
InChI
InChI=1S/C13H23N2O4PS/c1-5-17-20(21,18-6-2)19-13-8-7-12(14-15-13)16-10-9-11(3)4/h7-8,11H,5-6,9-10H2,1-4H3
InChIKey
RYEKFADWNKCIGH-UHFFFAOYSA-N
Compound name
diethoxy-[6-(3-methylbutoxy)pyridazin-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

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.11888 176.2
[M+Na]+ 357.10082 181.9
[M-H]- 333.10432 175.5
[M+NH4]+ 352.14542 188.4
[M+K]+ 373.07476 180.3
[M+H-H2O]+ 317.10886 165.5
[M+HCOO]- 379.10980 195.6
[M+CH3COO]- 393.12545 208.9
[M+Na-2H]- 355.08627 175.0
[M]+ 334.11105 185.7
[M]- 334.11215 185.7
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

patents stripe