CID 3069488

84775-00-8

Structural Information

Molecular Formula
C17H15ClN2O
SMILES
C1CN2C(=N1)C3=CC=CC=C3CC2(C4=CC(=CC=C4)Cl)O
InChI
InChI=1S/C17H15ClN2O/c18-14-6-3-5-13(10-14)17(21)11-12-4-1-2-7-15(12)16-19-8-9-20(16)17/h1-7,10,21H,8-9,11H2
InChIKey
VCXGTSVXQNAKCI-UHFFFAOYSA-N
Compound name
5-(3-chlorophenyl)-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

298.08728 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.09456 168.3
[M+Na]+ 321.07650 178.5
[M-H]- 297.08000 172.8
[M+NH4]+ 316.12110 186.7
[M+K]+ 337.05044 170.8
[M+H-H2O]+ 281.08454 159.6
[M+HCOO]- 343.08548 180.5
[M+CH3COO]- 357.10113 179.3
[M+Na-2H]- 319.06195 173.4
[M]+ 298.08673 168.0
[M]- 298.08783 168.0
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.