CID 216880

37840-66-7

Structural Information

Molecular Formula
C10H17N2O4PS
SMILES
CCOP(=S)(CC)OC1=C(C(=O)N(N=C1)C)OC
InChI
InChI=1S/C10H17N2O4PS/c1-5-15-17(18,6-2)16-8-7-11-12(3)10(13)9(8)14-4/h7H,5-6H2,1-4H3
InChIKey
NBFKWYXOHYDUHN-UHFFFAOYSA-N
Compound name
5-[ethoxy(ethyl)phosphinothioyl]oxy-4-methoxy-2-methylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.06467 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.071946 161.2
[M+Na]+ 315.053888 170.4
[M-H]- 291.057394 161.8
[M+NH4]+ 310.098493 175.7
[M+K]+ 331.027828 168.4
[M+H-H2O]+ 275.061930 151.5
[M+HCOO]- 337.062871 182.7
[M+CH3COO]- 351.078521 200.8
[M+Na-2H]- 313.039336 161.2
[M]+ 292.06412142 170.3
[M]- 292.06521858 170.3
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.