CID 168276588

Chembl5177274

Structural Information

Molecular Formula
C23H16N2
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC4=CC=CC=C4C5=C3NC=C5
InChI
InChI=1S/C23H16N2/c1-2-6-16(7-3-1)17-10-12-18(13-11-17)22-23-20(14-15-24-23)19-8-4-5-9-21(19)25-22/h1-15,24H
InChIKey
LZHGJPJYAKEWOP-UHFFFAOYSA-N
Compound name
4-(4-phenylphenyl)-3H-pyrrolo[2,3-c]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

320.13135 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.13863 176.1
[M+Na]+ 343.12057 186.1
[M-H]- 319.12407 184.2
[M+NH4]+ 338.16517 190.2
[M+K]+ 359.09451 176.6
[M+H-H2O]+ 303.12861 165.6
[M+HCOO]- 365.12955 195.9
[M+CH3COO]- 379.14520 187.0
[M+Na-2H]- 341.10602 182.7
[M]+ 320.13080 175.4
[M]- 320.13190 175.4
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.