CID 215320

3(2h)-pyridazinone, 6-phenyl-2-(piperidino)methyl-

Structural Information

Molecular Formula
C16H19N3O
SMILES
C1CCN(CC1)CN2C(=O)C=CC(=N2)C3=CC=CC=C3
InChI
InChI=1S/C16H19N3O/c20-16-10-9-15(14-7-3-1-4-8-14)17-19(16)13-18-11-5-2-6-12-18/h1,3-4,7-10H,2,5-6,11-13H2
InChIKey
ZCDJBQCGMYTBHB-UHFFFAOYSA-N
Compound name
6-phenyl-2-(piperidin-1-ylmethyl)pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.1528 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.160076 164.2
[M+Na]+ 292.142018 170.2
[M-H]- 268.145524 168.7
[M+NH4]+ 287.186623 175.5
[M+K]+ 308.115958 164.7
[M+H-H2O]+ 252.150060 152.6
[M+HCOO]- 314.151001 181.0
[M+CH3COO]- 328.166651 173.9
[M+Na-2H]- 290.127466 169.0
[M]+ 269.15225142 159.7
[M]- 269.15334858 159.7
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.