CID 462504

1-[imidazol-1-yl-(4-phenylphenyl)methyl]isoquinoline; nitric acid

Structural Information

Molecular Formula
C25H19N3
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(C3=NC=CC4=CC=CC=C43)N5C=CN=C5
InChI
InChI=1S/C25H19N3/c1-2-6-19(7-3-1)20-10-12-22(13-11-20)25(28-17-16-26-18-28)24-23-9-5-4-8-21(23)14-15-27-24/h1-18,25H
InChIKey
KEXKTAINFDOXPT-UHFFFAOYSA-N
Compound name
1-[imidazol-1-yl-(4-phenylphenyl)methyl]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

361.1579 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.16518 187.9
[M+Na]+ 384.14712 195.8
[M-H]- 360.15062 197.3
[M+NH4]+ 379.19172 197.6
[M+K]+ 400.12106 186.9
[M+H-H2O]+ 344.15516 175.0
[M+HCOO]- 406.15610 207.3
[M+CH3COO]- 420.17175 197.4
[M+Na-2H]- 382.13257 192.8
[M]+ 361.15735 187.4
[M]- 361.15845 187.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.