CID 15956263

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

Structural Information

Molecular Formula
C28H40N2O
SMILES
CCCCCCCNC(=O)C1=NC2=CC=CC=C2C(=C1)C3CC4CCCC(C3)CCC4
InChI
InChI=1S/C28H40N2O/c1-2-3-4-5-8-17-29-28(31)27-20-25(24-15-6-7-16-26(24)30-27)23-18-21-11-9-12-22(19-23)14-10-13-21/h6-7,15-16,20-23H,2-5,8-14,17-19H2,1H3,(H,29,31)
InChIKey
XEKYYLHRFMWYGE-UHFFFAOYSA-N
Compound name
4-(3-bicyclo[3.3.3]undecanyl)-N-heptylquinoline-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

420.31406 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.32134 114.9
[M+Na]+ 443.30328 114.9
[M-H]- 419.30678 114.9
[M+NH4]+ 438.34788 114.9
[M+K]+ 459.27722 114.9
[M+H-H2O]+ 403.31132 114.8
[M+HCOO]- 465.31226 114.8
[M+CH3COO]- 479.32791 114.8
[M+Na-2H]- 441.28873 114.7
[M]+ 420.31351 114.8
[M]- 420.31461 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.