CID 160073

75318-62-6

Structural Information

Molecular Formula
C22H15N3
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NN4C=CC5=CC=CC=C5C4=N3
InChI
InChI=1S/C22H15N3/c1-2-6-16(7-3-1)17-10-12-19(13-11-17)21-23-22-20-9-5-4-8-18(20)14-15-25(22)24-21/h1-15H
InChIKey
AJOKAHRNFHBQIS-UHFFFAOYSA-N
Compound name
2-(4-phenylphenyl)-[1,2,4]triazolo[5,1-a]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

321.1266 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.13388 176.9
[M+Na]+ 344.11582 197.4
[M+NH4]+ 339.16042 187.1
[M+K]+ 360.08976 187.6
[M-H]- 320.11932 184.8
[M+Na-2H]- 342.10127 189.9
[M]+ 321.12605 182.6
[M]- 321.12715 182.6
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