CID 15956262

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

Structural Information

Molecular Formula
C27H38N2O
SMILES
CCCCCCNC(=O)C1=NC2=CC=CC=C2C(=C1)C3CC4CCCC(C3)CCC4
InChI
InChI=1S/C27H38N2O/c1-2-3-4-7-16-28-27(30)26-19-24(23-14-5-6-15-25(23)29-26)22-17-20-10-8-11-21(18-22)13-9-12-20/h5-6,14-15,19-22H,2-4,7-13,16-18H2,1H3,(H,28,30)
InChIKey
KWNWYVXGECBMCJ-UHFFFAOYSA-N
Compound name
4-(3-bicyclo[3.3.3]undecanyl)-N-hexylquinoline-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

406.2984 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.30568 114.8
[M+Na]+ 429.28762 114.9
[M-H]- 405.29112 114.9
[M+NH4]+ 424.33222 114.9
[M+K]+ 445.26156 114.9
[M+H-H2O]+ 389.29566 114.8
[M+HCOO]- 451.29660 114.8
[M+CH3COO]- 465.31225 114.8
[M+Na-2H]- 427.27307 114.7
[M]+ 406.29785 114.8
[M]- 406.29895 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.