CID 3039867

Brn 0811372

Structural Information

Molecular Formula
C11H19N2O3PS2
SMILES
CCC1=NN(C(=O)C=C1)CSP(=S)(OCC)OCC
InChI
InChI=1S/C11H19N2O3PS2/c1-4-10-7-8-11(14)13(12-10)9-19-17(18,15-5-2)16-6-3/h7-8H,4-6,9H2,1-3H3
InChIKey
PLJVVXJIEJESNO-UHFFFAOYSA-N
Compound name
2-(diethoxyphosphinothioylsulfanylmethyl)-6-ethylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.05746 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.06474 165.5
[M+Na]+ 345.04668 173.3
[M-H]- 321.05018 165.1
[M+NH4]+ 340.09128 178.7
[M+K]+ 361.02062 168.9
[M+H-H2O]+ 305.05472 155.5
[M+HCOO]- 367.05566 181.2
[M+CH3COO]- 381.07131 204.9
[M+Na-2H]- 343.03213 163.6
[M]+ 322.05691 173.3
[M]- 322.05801 173.3
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.