CID 3044192

Brn 0677662

Structural Information

Molecular Formula
C18H18N2O
SMILES
CC1=CC=C(C=C1)C2(CC3=CC=CC=C3C4=NCCN42)O
InChI
InChI=1S/C18H18N2O/c1-13-6-8-15(9-7-13)18(21)12-14-4-2-3-5-16(14)17-19-10-11-20(17)18/h2-9,21H,10-12H2,1H3
InChIKey
FWCVCAUHZGOSNT-UHFFFAOYSA-N
Compound name
5-(4-methylphenyl)-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

278.1419 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.149176 166.2
[M+Na]+ 301.131118 175.2
[M-H]- 277.134624 170.9
[M+NH4]+ 296.175723 184.6
[M+K]+ 317.105058 168.8
[M+H-H2O]+ 261.139160 157.1
[M+HCOO]- 323.140101 182.8
[M+CH3COO]- 337.155751 177.2
[M+Na-2H]- 299.116566 171.3
[M]+ 278.14135142 164.1
[M]- 278.14244858 164.1
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

patents stripe