CID 15956261

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

Structural Information

Molecular Formula
C26H36N2O
SMILES
CCCCCNC(=O)C1=NC2=CC=CC=C2C(=C1)C3CC4CCCC(C3)CCC4
InChI
InChI=1S/C26H36N2O/c1-2-3-6-15-27-26(29)25-18-23(22-13-4-5-14-24(22)28-25)21-16-19-9-7-10-20(17-21)12-8-11-19/h4-5,13-14,18-21H,2-3,6-12,15-17H2,1H3,(H,27,29)
InChIKey
IPKLQBUPNZEIQR-UHFFFAOYSA-N
Compound name
4-(3-bicyclo[3.3.3]undecanyl)-N-pentylquinoline-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

392.28278 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.29006 114.8
[M+Na]+ 415.27200 114.9
[M-H]- 391.27550 114.8
[M+NH4]+ 410.31660 114.8
[M+K]+ 431.24594 114.9
[M+H-H2O]+ 375.28004 114.7
[M+HCOO]- 437.28098 114.8
[M+CH3COO]- 451.29663 114.8
[M+Na-2H]- 413.25745 114.7
[M]+ 392.28223 114.8
[M]- 392.28333 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.