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]+ 286.133876 165.9
[M+Na]+ 308.115818 174.6
[M-H]- 284.119324 172.7
[M+NH4]+ 303.160423 179.3
[M+K]+ 324.089758 167.7
[M+H-H2O]+ 268.123860 154.8
[M+HCOO]- 330.124801 186.6
[M+CH3COO]- 344.140451 177.1
[M+Na-2H]- 306.101266 172.8
[M]+ 285.12605142 166.1
[M]- 285.12714858 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.