CID 3022103

4-piperidinol, 1-(6-phenyl-3-pyridazinyl)-

Structural Information

Molecular Formula
C15H17N3O
SMILES
C1CN(CCC1O)C2=NN=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C15H17N3O/c19-13-8-10-18(11-9-13)15-7-6-14(16-17-15)12-4-2-1-3-5-12/h1-7,13,19H,8-11H2
InChIKey
VIDVKTHPWPHWHQ-UHFFFAOYSA-N
Compound name
1-(6-phenylpyridazin-3-yl)piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

255.13716 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.14444 160.5
[M+Na]+ 278.12638 166.3
[M-H]- 254.12988 164.0
[M+NH4]+ 273.17098 171.8
[M+K]+ 294.10032 160.8
[M+H-H2O]+ 238.13442 149.6
[M+HCOO]- 300.13536 176.1
[M+CH3COO]- 314.15101 170.0
[M+Na-2H]- 276.11183 165.5
[M]+ 255.13661 154.7
[M]- 255.13771 154.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.