CID 3039869

Brn 0826747

Structural Information

Molecular Formula
C15H19N2O3PS2
SMILES
CCOP(=S)(OCC)SCN1C(=O)C=CC(=N1)C2=CC=CC=C2
InChI
InChI=1S/C15H19N2O3PS2/c1-3-19-21(22,20-4-2)23-12-17-15(18)11-10-14(16-17)13-8-6-5-7-9-13/h5-11H,3-4,12H2,1-2H3
InChIKey
CLVAPILDCHUUJY-UHFFFAOYSA-N
Compound name
2-(diethoxyphosphinothioylsulfanylmethyl)-6-phenylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.05746 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.06474 177.6
[M+Na]+ 393.04668 185.2
[M-H]- 369.05018 180.1
[M+NH4]+ 388.09128 188.4
[M+K]+ 409.02062 179.4
[M+H-H2O]+ 353.05472 166.3
[M+HCOO]- 415.05566 193.7
[M+CH3COO]- 429.07131 212.3
[M+Na-2H]- 391.03213 176.4
[M]+ 370.05691 183.9
[M]- 370.05801 183.9
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.