CID 3042708

60244-68-0

Structural Information

Molecular Formula
C13H23N2O5PS
SMILES
CC(C)COP(=S)(OC1=C(C(=O)N(N=C1)C)OC)OC(C)C
InChI
InChI=1S/C13H23N2O5PS/c1-9(2)8-18-21(22,19-10(3)4)20-11-7-14-15(5)13(16)12(11)17-6/h7,9-10H,8H2,1-6H3
InChIKey
OGPLVQMCOMGVCU-UHFFFAOYSA-N
Compound name
4-methoxy-2-methyl-5-[2-methylpropoxy(propan-2-yloxy)phosphinothioyl]oxypyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.10654 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.11382 175.9
[M+Na]+ 373.09576 182.9
[M-H]- 349.09926 176.1
[M+NH4]+ 368.14036 187.8
[M+K]+ 389.06970 182.0
[M+H-H2O]+ 333.10380 165.9
[M+HCOO]- 395.10474 194.6
[M+CH3COO]- 409.12039 213.5
[M+Na-2H]- 371.08121 173.0
[M]+ 350.10599 186.4
[M]- 350.10709 186.4
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.