CID 15956265

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

Structural Information

Molecular Formula
C27H30N2O
SMILES
C1CC2CCCC(C1)CC(C2)C3=CC(=NC4=CC=CC=C43)C(=O)NC5=CC=CC=C5
InChI
InChI=1S/C27H30N2O/c30-27(28-22-12-2-1-3-13-22)26-18-24(23-14-4-5-15-25(23)29-26)21-16-19-8-6-9-20(17-21)11-7-10-19/h1-5,12-15,18-21H,6-11,16-17H2,(H,28,30)
InChIKey
MMVRYUFKMYIREQ-UHFFFAOYSA-N
Compound name
4-(3-bicyclo[3.3.3]undecanyl)-N-phenylquinoline-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

398.2358 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.24308 114.8
[M+Na]+ 421.22502 114.8
[M-H]- 397.22852 114.8
[M+NH4]+ 416.26962 114.8
[M+K]+ 437.19896 114.8
[M+H-H2O]+ 381.23306 114.7
[M+HCOO]- 443.23400 114.7
[M+CH3COO]- 457.24965 114.7
[M+Na-2H]- 419.21047 114.6
[M]+ 398.23525 114.7
[M]- 398.23635 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.