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]+ 291.14918 168.6
[M+Na]+ 313.13112 175.8
[M-H]- 289.13462 172.2
[M+NH4]+ 308.17572 182.2
[M+K]+ 329.10506 168.8
[M+H-H2O]+ 273.13916 158.2
[M+HCOO]- 335.14010 183.6
[M+CH3COO]- 349.15575 178.2
[M+Na-2H]- 311.11657 175.3
[M]+ 290.14135 165.3
[M]- 290.14245 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.