CID 44144577

Phosphoric acid, bis(2-methylpropyl) 1,6-dihydro-5-methoxy-1-methyl-6-oxo-4-pyridazinyl ester

Structural Information

Molecular Formula
C13H23N2O6P
SMILES
CC(C)COP(=O)(OCC(C)C)OC1=C(C(=O)NN=C1)OC
InChI
InChI=1S/C13H23N2O6P/c1-9(2)7-19-22(17,20-8-10(3)4)21-11-6-14-15-13(16)12(11)18-5/h6,9-10H,7-8H2,1-5H3,(H,15,16)
InChIKey
JVRGLFZUQMAVEA-UHFFFAOYSA-N
Compound name
(5-methoxy-6-oxo-1H-pyridazin-4-yl) bis(2-methylpropyl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.12936 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.13664 176.1
[M+Na]+ 357.11858 182.0
[M-H]- 333.12208 174.4
[M+NH4]+ 352.16318 186.9
[M+K]+ 373.09252 181.9
[M+H-H2O]+ 317.12662 165.9
[M+HCOO]- 379.12756 198.2
[M+CH3COO]- 393.14321 208.4
[M+Na-2H]- 355.10403 175.7
[M]+ 334.12881 183.9
[M]- 334.12991 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.