CID 2398303

22080-20-2

Structural Information

Molecular Formula
C19H18N2O
SMILES
C1CN(CC2=CC=CC=C21)CC3=C4C=CC=NC4=C(C=C3)O
InChI
InChI=1S/C19H18N2O/c22-18-8-7-16(17-6-3-10-20-19(17)18)13-21-11-9-14-4-1-2-5-15(14)12-21/h1-8,10,22H,9,11-13H2
InChIKey
ZCKNVVFRDNVGHS-UHFFFAOYSA-N
Compound name
5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)quinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

290.1419 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.149176 168.6
[M+Na]+ 313.131118 175.8
[M-H]- 289.134624 172.2
[M+NH4]+ 308.175723 182.2
[M+K]+ 329.105058 168.8
[M+H-H2O]+ 273.139160 158.2
[M+HCOO]- 335.140101 183.6
[M+CH3COO]- 349.155751 178.2
[M+Na-2H]- 311.116566 175.3
[M]+ 290.14135142 165.3
[M]- 290.14244858 165.3
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.