CID 3022106

Sr 41188

Structural Information

Molecular Formula
C15H16ClN3O
SMILES
C1CN(CCC1O)C2=NN=C(C=C2)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C15H16ClN3O/c16-12-3-1-2-11(10-12)14-4-5-15(18-17-14)19-8-6-13(20)7-9-19/h1-5,10,13,20H,6-9H2
InChIKey
HLFLRGFVWKJODY-UHFFFAOYSA-N
Compound name
1-[6-(3-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 166.5
[M+Na]+ 312.08740 173.8
[M-H]- 288.09090 170.0
[M+NH4]+ 307.13200 177.5
[M+K]+ 328.06134 167.0
[M+H-H2O]+ 272.09544 155.9
[M+HCOO]- 334.09638 177.3
[M+CH3COO]- 348.11203 175.9
[M+Na-2H]- 310.07285 170.2
[M]+ 289.09763 163.2
[M]- 289.09873 163.2
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.