CID 3042711

60244-74-8

Structural Information

Molecular Formula
C14H17N2O4PS
SMILES
CCOP(=S)(C1=CC=CC=C1)OC2=C(C(=O)N(N=C2)C)OC
InChI
InChI=1S/C14H17N2O4PS/c1-4-19-21(22,11-8-6-5-7-9-11)20-12-10-15-16(2)14(17)13(12)18-3/h5-10H,4H2,1-3H3
InChIKey
OHIXHOKSSWUHOW-UHFFFAOYSA-N
Compound name
5-[ethoxy(phenyl)phosphinothioyl]oxy-4-methoxy-2-methylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.06467 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.07195 173.9
[M+Na]+ 363.05389 182.7
[M-H]- 339.05739 177.4
[M+NH4]+ 358.09849 185.8
[M+K]+ 379.02783 179.2
[M+H-H2O]+ 323.06193 162.6
[M+HCOO]- 385.06287 195.5
[M+CH3COO]- 399.07852 208.5
[M+Na-2H]- 361.03934 174.3
[M]+ 340.06412 181.4
[M]- 340.06522 181.4
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.