CID 1338745

75318-68-2

Structural Information

Molecular Formula
C23H16N2
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CN4C=CC5=CC=CC=C5C4=N3
InChI
InChI=1S/C23H16N2/c1-2-6-17(7-3-1)18-10-12-20(13-11-18)22-16-25-15-14-19-8-4-5-9-21(19)23(25)24-22/h1-16H
InChIKey
XAFVGEWJDSHKNF-UHFFFAOYSA-N
Compound name
2-(4-phenylphenyl)imidazo[2,1-a]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

320.13135 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.13863 176.9
[M+Na]+ 343.12057 187.2
[M-H]- 319.12407 186.2
[M+NH4]+ 338.16517 191.6
[M+K]+ 359.09451 178.5
[M+H-H2O]+ 303.12861 165.8
[M+HCOO]- 365.12955 198.1
[M+CH3COO]- 379.14520 188.3
[M+Na-2H]- 341.10602 183.6
[M]+ 320.13080 177.7
[M]- 320.13190 177.7
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