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

3
Patents

288.16266 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.16994 169.3
[M+Na]+ 311.15188 174.3
[M-H]- 287.15538 174.3
[M+NH4]+ 306.19648 181.3
[M+K]+ 327.12582 166.6
[M+H-H2O]+ 271.15992 158.2
[M+HCOO]- 333.16086 184.0
[M+CH3COO]- 347.17651 178.1
[M+Na-2H]- 309.13733 174.6
[M]+ 288.16211 161.8
[M]- 288.16321 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