CID 15956269

2-quinolinecarboxamide, 4-bicyclo[3.3.3]undec-3-yl-n-3-quinolinyl-

Structural Information

Molecular Formula
C30H31N3O
SMILES
C1CC2CCCC(C1)CC(C2)C3=CC(=NC4=CC=CC=C43)C(=O)NC5=CC6=CC=CC=C6N=C5
InChI
InChI=1S/C30H31N3O/c34-30(32-24-17-22-11-1-3-13-27(22)31-19-24)29-18-26(25-12-2-4-14-28(25)33-29)23-15-20-7-5-8-21(16-23)10-6-9-20/h1-4,11-14,17-21,23H,5-10,15-16H2,(H,32,34)
InChIKey
ONTHHCVOWAYNCR-UHFFFAOYSA-N
Compound name
4-(3-bicyclo[3.3.3]undecanyl)-N-quinolin-3-ylquinoline-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

449.2467 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.25398 114.9
[M+Na]+ 472.23592 114.9
[M-H]- 448.23942 114.9
[M+NH4]+ 467.28052 114.9
[M+K]+ 488.20986 114.9
[M+H-H2O]+ 432.24396 114.8
[M+HCOO]- 494.24490 114.8
[M+CH3COO]- 508.26055 114.8
[M+Na-2H]- 470.22137 114.7
[M]+ 449.24615 114.8
[M]- 449.24725 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.