CID 13362212

Cm 41127

Structural Information

Molecular Formula
C15H16ClN3O
SMILES
C1CN(CCC1O)C2=NN=C(C=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H16ClN3O/c16-12-3-1-11(2-4-12)14-5-6-15(18-17-14)19-9-7-13(20)8-10-19/h1-6,13,20H,7-10H2
InChIKey
NOUKCJJFOMUPLP-UHFFFAOYSA-N
Compound name
1-[6-(4-chlorophenyl)pyridazin-3-yl]piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

289.09818 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.10546 166.8
[M+Na]+ 312.08740 183.0
[M+NH4]+ 307.13200 175.1
[M+K]+ 328.06134 174.3
[M-H]- 288.09090 171.8
[M+Na-2H]- 310.07285 176.6
[M]+ 289.09763 170.9
[M]- 289.09873 170.9
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.