CID 3021937

Isoquinoline, 1-phenyl-3-(4-piperidinyl)-, hydrochloride

Structural Information

Molecular Formula
C20H20N2
SMILES
C1CNCCC1C2=CC3=CC=CC=C3C(=N2)C4=CC=CC=C4
InChI
InChI=1S/C20H20N2/c1-2-6-16(7-3-1)20-18-9-5-4-8-17(18)14-19(22-20)15-10-12-21-13-11-15/h1-9,14-15,21H,10-13H2
InChIKey
YWWLPDDIYOXBQL-UHFFFAOYSA-N
Compound name
1-phenyl-3-piperidin-4-ylisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

288.16266 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.169936 169.3
[M+Na]+ 311.151878 174.3
[M-H]- 287.155384 174.3
[M+NH4]+ 306.196483 181.3
[M+K]+ 327.125818 166.6
[M+H-H2O]+ 271.159920 158.2
[M+HCOO]- 333.160861 184.0
[M+CH3COO]- 347.176511 178.1
[M+Na-2H]- 309.137326 174.6
[M]+ 288.16211142 161.8
[M]- 288.16320858 161.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe