CID 3044189

Brn 0685306

Structural Information

Molecular Formula
C17H15FN2O
SMILES
C1CN2C(=N1)C3=CC=CC=C3CC2(C4=CC(=CC=C4)F)O
InChI
InChI=1S/C17H15FN2O/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
HQRRHGZAZVWSPF-UHFFFAOYSA-N
Compound name
5-(3-fluorophenyl)-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

282.11685 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.12413 164.7
[M+Na]+ 305.10607 174.2
[M-H]- 281.10957 168.2
[M+NH4]+ 300.15067 182.9
[M+K]+ 321.08001 167.5
[M+H-H2O]+ 265.11411 154.8
[M+HCOO]- 327.11505 180.5
[M+CH3COO]- 341.13070 175.5
[M+Na-2H]- 303.09152 169.7
[M]+ 282.11630 161.3
[M]- 282.11740 161.3
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

patents stripe