CID 198305

Brn 0840769

Structural Information

Molecular Formula
C15H19N2O4PS
SMILES
CCOP(=S)(OCC)OC1=NN=C(C=C1)OC2=CC=CC=C2C
InChI
InChI=1S/C15H19N2O4PS/c1-4-18-22(23,19-5-2)21-15-11-10-14(16-17-15)20-13-9-7-6-8-12(13)3/h6-11H,4-5H2,1-3H3
InChIKey
HTZJQLRBWFTNAK-UHFFFAOYSA-N
Compound name
diethoxy-[6-(2-methylphenoxy)pyridazin-3-yl]oxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.08032 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.08760 179.1
[M+Na]+ 377.06954 186.3
[M-H]- 353.07304 182.1
[M+NH4]+ 372.11414 190.2
[M+K]+ 393.04348 183.3
[M+H-H2O]+ 337.07758 167.3
[M+HCOO]- 399.07852 200.3
[M+CH3COO]- 413.09417 211.0
[M+Na-2H]- 375.05499 179.7
[M]+ 354.07977 187.3
[M]- 354.08087 187.3
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.