CID 15956267

2-quinolinecarboxamide, 4-bicyclo[3.3.3]undec-3-yl-n-(3-chloro-4-methoxyphenyl)-

Structural Information

Molecular Formula
C28H31ClN2O2
SMILES
COC1=C(C=C(C=C1)NC(=O)C2=NC3=CC=CC=C3C(=C2)C4CC5CCCC(C4)CCC5)Cl
InChI
InChI=1S/C28H31ClN2O2/c1-33-27-13-12-21(16-24(27)29)30-28(32)26-17-23(22-10-2-3-11-25(22)31-26)20-14-18-6-4-7-19(15-20)9-5-8-18/h2-3,10-13,16-20H,4-9,14-15H2,1H3,(H,30,32)
InChIKey
ZFBZPFOCGWOYBY-UHFFFAOYSA-N
Compound name
4-(3-bicyclo[3.3.3]undecanyl)-N-(3-chloro-4-methoxyphenyl)quinoline-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

462.2074 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.21468 115.0
[M+Na]+ 485.19662 115.0
[M-H]- 461.20012 115.0
[M+NH4]+ 480.24122 115.0
[M+K]+ 501.17056 115.0
[M+H-H2O]+ 445.20466 114.9
[M+HCOO]- 507.20560 115.0
[M+CH3COO]- 521.22125 114.9
[M+Na-2H]- 483.18207 114.8
[M]+ 462.20685 115.0
[M]- 462.20795 115.0
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.