CID 462505

[isoquinolyl(4-hydroxyphenyl)methyl]imidazole

Structural Information

Molecular Formula
C19H15N3O
SMILES
C1=CC=C2C(=C1)C=CN=C2C(C3=CC=C(C=C3)O)N4C=CN=C4
InChI
InChI=1S/C19H15N3O/c23-16-7-5-15(6-8-16)19(22-12-11-20-13-22)18-17-4-2-1-3-14(17)9-10-21-18/h1-13,19,23H
InChIKey
CLLYZFBFSJUOAQ-UHFFFAOYSA-N
Compound name
4-[imidazol-1-yl(isoquinolin-1-yl)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

301.12152 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.12880 169.5
[M+Na]+ 324.11074 178.4
[M-H]- 300.11424 175.4
[M+NH4]+ 319.15534 181.8
[M+K]+ 340.08468 171.4
[M+H-H2O]+ 284.11878 158.8
[M+HCOO]- 346.11972 188.9
[M+CH3COO]- 360.13537 180.2
[M+Na-2H]- 322.09619 175.3
[M]+ 301.12097 169.7
[M]- 301.12207 169.7
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.