CID 3042710

60244-70-4

Structural Information

Molecular Formula
C14H25N2O5PS
SMILES
CC(C)COP(=S)(OCC(C)C)OC1=C(C(=O)N(N=C1)C)OC
InChI
InChI=1S/C14H25N2O5PS/c1-10(2)8-19-22(23,20-9-11(3)4)21-12-7-15-16(5)14(17)13(12)18-6/h7,10-11H,8-9H2,1-6H3
InChIKey
KHXBZLLVTWGRPU-UHFFFAOYSA-N
Compound name
5-[bis(2-methylpropoxy)phosphinothioyloxy]-4-methoxy-2-methylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.1222 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.12948 180.5
[M+Na]+ 387.11142 187.0
[M-H]- 363.11492 180.5
[M+NH4]+ 382.15602 191.8
[M+K]+ 403.08536 185.9
[M+H-H2O]+ 347.11946 170.2
[M+HCOO]- 409.12040 198.8
[M+CH3COO]- 423.13605 216.4
[M+Na-2H]- 385.09687 177.1
[M]+ 364.12165 191.3
[M]- 364.12275 191.3
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.