CID 462496

1-[imidazol-1-yl(phenyl)methyl]isoquinoline

Structural Information

Molecular Formula
C19H15N3
SMILES
C1=CC=C(C=C1)C(C2=NC=CC3=CC=CC=C32)N4C=CN=C4
InChI
InChI=1S/C19H15N3/c1-2-7-16(8-3-1)19(22-13-12-20-14-22)18-17-9-5-4-6-15(17)10-11-21-18/h1-14,19H
InChIKey
QZNRPMQNLSSPCF-UHFFFAOYSA-N
Compound name
1-[imidazol-1-yl(phenyl)methyl]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

285.1266 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.13388 165.9
[M+Na]+ 308.11582 174.6
[M-H]- 284.11932 172.7
[M+NH4]+ 303.16042 179.3
[M+K]+ 324.08976 167.7
[M+H-H2O]+ 268.12386 154.8
[M+HCOO]- 330.12480 186.6
[M+CH3COO]- 344.14045 177.1
[M+Na-2H]- 306.10127 172.8
[M]+ 285.12605 166.1
[M]- 285.12715 166.1
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.