CID 3044195

56882-49-6

Structural Information

Molecular Formula
C17H14Cl2N2O
SMILES
C1CN2C(=N1)C3=CC=CC=C3CC2(C4=CC(=C(C=C4)Cl)Cl)O
InChI
InChI=1S/C17H14Cl2N2O/c18-14-6-5-12(9-15(14)19)17(22)10-11-3-1-2-4-13(11)16-20-7-8-21(16)17/h1-6,9,22H,7-8,10H2
InChIKey
ALWSRDVAPSKHSV-UHFFFAOYSA-N
Compound name
5-(3,4-dichlorophenyl)-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

332.0483 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.05558 174.2
[M+Na]+ 355.03752 185.5
[M-H]- 331.04102 178.1
[M+NH4]+ 350.08212 191.9
[M+K]+ 371.01146 177.0
[M+H-H2O]+ 315.04556 166.0
[M+HCOO]- 377.04650 181.3
[M+CH3COO]- 391.06215 184.7
[M+Na-2H]- 353.02297 177.7
[M]+ 332.04775 175.5
[M]- 332.04885 175.5
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