CID 3039865

Brn 0666750

Structural Information

Molecular Formula
C10H17N2O4PS
SMILES
CCOP(=O)(OCC)SCN1C(=O)C=CC(=N1)C
InChI
InChI=1S/C10H17N2O4PS/c1-4-15-17(14,16-5-2)18-8-12-10(13)7-6-9(3)11-12/h6-7H,4-5,8H2,1-3H3
InChIKey
DRYHEBJYIPWIDT-UHFFFAOYSA-N
Compound name
2-(diethoxyphosphorylsulfanylmethyl)-6-methylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.06467 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.07195 163.9
[M+Na]+ 315.05389 174.2
[M+NH4]+ 310.09849 168.9
[M+K]+ 331.02783 168.1
[M-H]- 291.05739 162.3
[M+Na-2H]- 313.03934 167.1
[M]+ 292.06412 165.1
[M]- 292.06522 165.1
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.