CID 3022105

Sr 41185

Structural Information

Molecular Formula
C16H19N3O2
SMILES
COC1=CC=C(C=C1)C2=NN=C(C=C2)N3CCC(CC3)O
InChI
InChI=1S/C16H19N3O2/c1-21-14-4-2-12(3-5-14)15-6-7-16(18-17-15)19-10-8-13(20)9-11-19/h2-7,13,20H,8-11H2,1H3
InChIKey
IFJMWVNASFYBDY-UHFFFAOYSA-N
Compound name
1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

285.14774 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.15502 168.5
[M+Na]+ 308.13696 174.6
[M-H]- 284.14046 172.2
[M+NH4]+ 303.18156 178.8
[M+K]+ 324.11090 169.6
[M+H-H2O]+ 268.14500 157.4
[M+HCOO]- 330.14594 183.9
[M+CH3COO]- 344.16159 177.8
[M+Na-2H]- 306.12241 172.2
[M]+ 285.14719 164.8
[M]- 285.14829 164.8
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.