CID 4246476

1-(4-biphenylyl)isoquinoline

Structural Information

Molecular Formula
C21H15N
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=CC4=CC=CC=C43
InChI
InChI=1S/C21H15N/c1-2-6-16(7-3-1)17-10-12-19(13-11-17)21-20-9-5-4-8-18(20)14-15-22-21/h1-15H
InChIKey
VASIFKDQQVGWTL-UHFFFAOYSA-N
Compound name
1-(4-phenylphenyl)isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

15
Patents

281.12045 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.12773 166.4
[M+Na]+ 304.10967 174.5
[M-H]- 280.11317 175.2
[M+NH4]+ 299.15427 181.0
[M+K]+ 320.08361 167.1
[M+H-H2O]+ 264.11771 155.9
[M+HCOO]- 326.11865 187.8
[M+CH3COO]- 340.13430 177.8
[M+Na-2H]- 302.09512 174.5
[M]+ 281.11990 164.7
[M]- 281.12100 164.7
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

patents stripe