CID 2827924

2,2'-bi-4-lepidine

Structural Information

Molecular Formula
C20H16N2
SMILES
CC1=CC(=NC2=CC=CC=C12)C3=NC4=CC=CC=C4C(=C3)C
InChI
InChI=1S/C20H16N2/c1-13-11-19(21-17-9-5-3-7-15(13)17)20-12-14(2)16-8-4-6-10-18(16)22-20/h3-12H,1-2H3
InChIKey
DXZWINPECYHJIG-UHFFFAOYSA-N
Compound name
4-methyl-2-(4-methylquinolin-2-yl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

83
Patents

284.13135 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.13863 168.5
[M+Na]+ 307.12057 180.0
[M-H]- 283.12407 174.9
[M+NH4]+ 302.16517 183.8
[M+K]+ 323.09451 172.3
[M+H-H2O]+ 267.12861 158.1
[M+HCOO]- 329.12955 188.7
[M+CH3COO]- 343.14520 180.5
[M+Na-2H]- 305.10602 177.3
[M]+ 284.13080 170.6
[M]- 284.13190 170.6
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