CID 3042697

60244-57-7

Structural Information

Molecular Formula
C10H17N2O5PS
SMILES
CCCOP(=S)(OC)OC1=C(C(=O)N(N=C1)C)OC
InChI
InChI=1S/C10H17N2O5PS/c1-5-6-16-18(19,15-4)17-8-7-11-12(2)10(13)9(8)14-3/h7H,5-6H2,1-4H3
InChIKey
AHCNIHIYMJVWRR-UHFFFAOYSA-N
Compound name
4-methoxy-5-[methoxy(propoxy)phosphinothioyl]oxy-2-methylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.05957 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.06685 163.7
[M+Na]+ 331.04879 172.7
[M-H]- 307.05229 164.2
[M+NH4]+ 326.09339 177.4
[M+K]+ 347.02273 171.3
[M+H-H2O]+ 291.05683 153.9
[M+HCOO]- 353.05777 185.4
[M+CH3COO]- 367.07342 202.9
[M+Na-2H]- 329.03424 164.0
[M]+ 308.05902 174.2
[M]- 308.06012 174.2
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.