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]+ 256.144436 160.5
[M+Na]+ 278.126378 166.3
[M-H]- 254.129884 164.0
[M+NH4]+ 273.170983 171.8
[M+K]+ 294.100318 160.8
[M+H-H2O]+ 238.134420 149.6
[M+HCOO]- 300.135361 176.1
[M+CH3COO]- 314.151011 170.0
[M+Na-2H]- 276.111826 165.5
[M]+ 255.13661142 154.7
[M]- 255.13770858 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.