CID 15956264

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

Structural Information

Molecular Formula
C25H34N2O
SMILES
CCN(CC)C(=O)C1=NC2=CC=CC=C2C(=C1)C3CC4CCCC(C3)CCC4
InChI
InChI=1S/C25H34N2O/c1-3-27(4-2)25(28)24-17-22(21-13-5-6-14-23(21)26-24)20-15-18-9-7-10-19(16-20)12-8-11-18/h5-6,13-14,17-20H,3-4,7-12,15-16H2,1-2H3
InChIKey
FYGJBBXJFMACCV-UHFFFAOYSA-N
Compound name
4-(3-bicyclo[3.3.3]undecanyl)-N,N-diethylquinoline-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

378.26712 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.27440 114.9
[M+Na]+ 401.25634 114.9
[M-H]- 377.25984 114.9
[M+NH4]+ 396.30094 114.9
[M+K]+ 417.23028 115.0
[M+H-H2O]+ 361.26438 114.8
[M+HCOO]- 423.26532 114.9
[M+CH3COO]- 437.28097 114.8
[M+Na-2H]- 399.24179 114.7
[M]+ 378.26657 114.9
[M]- 378.26767 114.9
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.