CID 15956266

2-quinolinecarboxamide, 4-bicyclo[3.3.3]undec-3-yl-n-(4-methoxyphenyl)-

Structural Information

Molecular Formula
C28H32N2O2
SMILES
COC1=CC=C(C=C1)NC(=O)C2=NC3=CC=CC=C3C(=C2)C4CC5CCCC(C4)CCC5
InChI
InChI=1S/C28H32N2O2/c1-32-23-14-12-22(13-15-23)29-28(31)27-18-25(24-10-2-3-11-26(24)30-27)21-16-19-6-4-7-20(17-21)9-5-8-19/h2-3,10-15,18-21H,4-9,16-17H2,1H3,(H,29,31)
InChIKey
SQKFBWHCFFTKPK-UHFFFAOYSA-N
Compound name
4-(3-bicyclo[3.3.3]undecanyl)-N-(4-methoxyphenyl)quinoline-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

428.24637 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.25365 114.8
[M+Na]+ 451.23559 114.9
[M-H]- 427.23909 114.8
[M+NH4]+ 446.28019 114.9
[M+K]+ 467.20953 114.9
[M+H-H2O]+ 411.24363 114.7
[M+HCOO]- 473.24457 114.8
[M+CH3COO]- 487.26022 114.8
[M+Na-2H]- 449.22104 114.7
[M]+ 428.24582 114.8
[M]- 428.24692 114.8
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.