CID 3068596

Brn 4483903

Structural Information

Molecular Formula
C18H18N2O
SMILES
C1CN2C(=N1)C3=CC=CC=C3CC2(CC4=CC=CC=C4)O
InChI
InChI=1S/C18H18N2O/c21-18(12-14-6-2-1-3-7-14)13-15-8-4-5-9-16(15)17-19-10-11-20(17)18/h1-9,21H,10-13H2
InChIKey
GARMCNUKLYBZIW-UHFFFAOYSA-N
Compound name
5-benzyl-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

278.1419 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.14918 165.9
[M+Na]+ 301.13112 173.9
[M-H]- 277.13462 170.1
[M+NH4]+ 296.17572 183.9
[M+K]+ 317.10506 167.4
[M+H-H2O]+ 261.13916 156.4
[M+HCOO]- 323.14010 182.4
[M+CH3COO]- 337.15575 176.5
[M+Na-2H]- 299.11657 171.6
[M]+ 278.14135 163.3
[M]- 278.14245 163.3
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.