CID 3042702

60244-62-4

Structural Information

Molecular Formula
C12H21N2O5PS
SMILES
CCOP(=S)(OCC(C)C)OC1=C(C(=O)N(N=C1)C)OC
InChI
InChI=1S/C12H21N2O5PS/c1-6-17-20(21,18-8-9(2)3)19-10-7-13-14(4)12(15)11(10)16-5/h7,9H,6,8H2,1-5H3
InChIKey
XBGOYDQIHDYLFX-UHFFFAOYSA-N
Compound name
5-[ethoxy(2-methylpropoxy)phosphinothioyl]oxy-4-methoxy-2-methylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.09088 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.09816 172.2
[M+Na]+ 359.08010 180.0
[M-H]- 335.08360 172.5
[M+NH4]+ 354.12470 184.7
[M+K]+ 375.05404 178.7
[M+H-H2O]+ 319.08814 162.1
[M+HCOO]- 381.08908 192.2
[M+CH3COO]- 395.10473 209.7
[M+Na-2H]- 357.06555 170.7
[M]+ 336.09033 182.9
[M]- 336.09143 182.9
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.