CID 15956270

N-benzyl-4-(3-bicyclo[3.3.3]undecanyl)quinoline-2-carboxamide

Structural Information

Molecular Formula
C28H32N2O
SMILES
C1CC2CCCC(C1)CC(C2)C3=CC(=NC4=CC=CC=C43)C(=O)NCC5=CC=CC=C5
InChI
InChI=1S/C28H32N2O/c31-28(29-19-22-8-2-1-3-9-22)27-18-25(24-14-4-5-15-26(24)30-27)23-16-20-10-6-11-21(17-23)13-7-12-20/h1-5,8-9,14-15,18,20-21,23H,6-7,10-13,16-17,19H2,(H,29,31)
InChIKey
FVCYVOVDCKADAC-UHFFFAOYSA-N
Compound name
N-benzyl-4-(3-bicyclo[3.3.3]undecanyl)quinoline-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

412.25146 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.25874 114.8
[M+Na]+ 435.24068 114.8
[M-H]- 411.24418 114.8
[M+NH4]+ 430.28528 114.8
[M+K]+ 451.21462 114.8
[M+H-H2O]+ 395.24872 114.7
[M+HCOO]- 457.24966 114.7
[M+CH3COO]- 471.26531 114.7
[M+Na-2H]- 433.22613 114.6
[M]+ 412.25091 114.7
[M]- 412.25201 114.7
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

No patent data available for this compound.