CID 3042705

60244-65-7

Structural Information

Molecular Formula
C13H23N2O5PS
SMILES
CCCOP(=S)(OCC(C)C)OC1=C(C(=O)N(N=C1)C)OC
InChI
InChI=1S/C13H23N2O5PS/c1-6-7-18-21(22,19-9-10(2)3)20-11-8-14-15(4)13(16)12(11)17-5/h8,10H,6-7,9H2,1-5H3
InChIKey
BSORRPQLUYHQMJ-UHFFFAOYSA-N
Compound name
4-methoxy-2-methyl-5-[2-methylpropoxy(propoxy)phosphinothioyl]oxypyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.10654 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.11382 176.8
[M+Na]+ 373.09576 184.0
[M-H]- 349.09926 176.8
[M+NH4]+ 368.14036 188.7
[M+K]+ 389.06970 182.5
[M+H-H2O]+ 333.10380 166.5
[M+HCOO]- 395.10474 196.4
[M+CH3COO]- 409.12039 212.6
[M+Na-2H]- 371.08121 174.7
[M]+ 350.10599 187.8
[M]- 350.10709 187.8
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.