CID 208814

Ag 262

Structural Information

Molecular Formula
C17H23N3O3
SMILES
CC1(CC(=NN(C1=O)CCN2CCOCC2)C3=CC=CC=C3)O
InChI
InChI=1S/C17H23N3O3/c1-17(22)13-15(14-5-3-2-4-6-14)18-20(16(17)21)8-7-19-9-11-23-12-10-19/h2-6,22H,7-13H2,1H3
InChIKey
WCYOJSKXJJIJBW-UHFFFAOYSA-N
Compound name
5-hydroxy-5-methyl-1-(2-morpholin-4-ylethyl)-3-phenyl-4H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.17395 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.18123 177.9
[M+Na]+ 340.16317 182.9
[M-H]- 316.16667 181.7
[M+NH4]+ 335.20777 187.3
[M+K]+ 356.13711 179.6
[M+H-H2O]+ 300.17121 166.7
[M+HCOO]- 362.17215 189.6
[M+CH3COO]- 376.18780 186.1
[M+Na-2H]- 338.14862 180.6
[M]+ 317.17340 173.5
[M]- 317.17450 173.5
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.