CID 216879

37840-61-2

Structural Information

Molecular Formula
C10H18N3O4PS
SMILES
CC(C)NP(=S)(OC)OC1=C(C(=O)N(N=C1)C)OC
InChI
InChI=1S/C10H18N3O4PS/c1-7(2)12-18(19,16-5)17-8-6-11-13(3)10(14)9(8)15-4/h6-7H,1-5H3,(H,12,19)
InChIKey
FNALQVSBTYSAFT-UHFFFAOYSA-N
Compound name
4-methoxy-5-[methoxy-(propan-2-ylamino)phosphinothioyl]oxy-2-methylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.07556 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.08284 164.9
[M+Na]+ 330.06478 172.7
[M-H]- 306.06828 165.4
[M+NH4]+ 325.10938 178.2
[M+K]+ 346.03872 171.1
[M+H-H2O]+ 290.07282 154.9
[M+HCOO]- 352.07376 186.2
[M+CH3COO]- 366.08941 206.7
[M+Na-2H]- 328.05023 164.5
[M]+ 307.07501 172.5
[M]- 307.07611 172.5
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.