CID 3044191

56882-45-2

Structural Information

Molecular Formula
C17H16N2O
SMILES
C1CN2C(=N1)C3=CC=CC=C3CC2(C4=CC=CC=C4)O
InChI
InChI=1S/C17H16N2O/c20-17(14-7-2-1-3-8-14)12-13-6-4-5-9-15(13)16-18-10-11-19(16)17/h1-9,20H,10-12H2
InChIKey
YEQDDLZHZCNPFQ-UHFFFAOYSA-N
Compound name
5-phenyl-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

264.12625 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.13353 161.4
[M+Na]+ 287.11547 169.9
[M-H]- 263.11897 165.8
[M+NH4]+ 282.16007 180.0
[M+K]+ 303.08941 163.6
[M+H-H2O]+ 247.12351 152.2
[M+HCOO]- 309.12445 178.3
[M+CH3COO]- 323.14010 172.5
[M+Na-2H]- 285.10092 167.7
[M]+ 264.12570 158.5
[M]- 264.12680 158.5
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