CID 3022108

Sr 41559

Structural Information

Molecular Formula
C15H17N3O2
SMILES
C1CN(CCC1O)C2=NN=C(C=C2)C3=CC=CC=C3O
InChI
InChI=1S/C15H17N3O2/c19-11-7-9-18(10-8-11)15-6-5-13(16-17-15)12-3-1-2-4-14(12)20/h1-6,11,19-20H,7-10H2
InChIKey
JGYLUGJSFWBSGA-UHFFFAOYSA-N
Compound name
1-[6-(2-hydroxyphenyl)pyridazin-3-yl]piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

271.13208 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.13936 164.7
[M+Na]+ 294.12130 179.0
[M+NH4]+ 289.16590 171.8
[M+K]+ 310.09524 172.1
[M-H]- 270.12480 168.7
[M+Na-2H]- 292.10675 173.3
[M]+ 271.13153 167.8
[M]- 271.13263 167.8
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.