CID 3039863

Brn 0752390

Structural Information

Molecular Formula
C10H17N2O3PS2
SMILES
CCOP(=S)(OCC)SCN1C(=O)C=CC(=N1)C
InChI
InChI=1S/C10H17N2O3PS2/c1-4-14-16(17,15-5-2)18-8-12-10(13)7-6-9(3)11-12/h6-7H,4-5,8H2,1-3H3
InChIKey
BNMJWNASOCWVOX-UHFFFAOYSA-N
Compound name
2-(diethoxyphosphinothioylsulfanylmethyl)-6-methylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.0418 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.04908 161.3
[M+Na]+ 331.03102 169.5
[M-H]- 307.03452 161.1
[M+NH4]+ 326.07562 175.0
[M+K]+ 347.00496 165.3
[M+H-H2O]+ 291.03906 151.4
[M+HCOO]- 353.04000 177.3
[M+CH3COO]- 367.05565 201.9
[M+Na-2H]- 329.01647 159.8
[M]+ 308.04125 168.7
[M]- 308.04235 168.7
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.