CID 15956258

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

Structural Information

Molecular Formula
C21H26N2O
SMILES
C1CC2CCCC(C1)CC(C2)C3=CC(=NC4=CC=CC=C43)C(=O)N
InChI
InChI=1S/C21H26N2O/c22-21(24)20-13-18(17-9-1-2-10-19(17)23-20)16-11-14-5-3-6-15(12-16)8-4-7-14/h1-2,9-10,13-16H,3-8,11-12H2,(H2,22,24)
InChIKey
GZUMBRNGEZKKQF-UHFFFAOYSA-N
Compound name
4-(3-bicyclo[3.3.3]undecanyl)quinoline-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

322.2045 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.21178 114.7
[M+Na]+ 345.19372 114.8
[M-H]- 321.19722 114.8
[M+NH4]+ 340.23832 114.8
[M+K]+ 361.16766 114.8
[M+H-H2O]+ 305.20176 114.7
[M+HCOO]- 367.20270 114.7
[M+CH3COO]- 381.21835 114.7
[M+Na-2H]- 343.17917 114.6
[M]+ 322.20395 114.7
[M]- 322.20505 114.7
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.