CID 5271308

4-(2-adamantyl)quinoline-2-carboxamide

Structural Information

Molecular Formula
C20H22N2O
SMILES
C1C2CC3CC1CC(C2)C3C4=CC(=NC5=CC=CC=C54)C(=O)N
InChI
InChI=1S/C20H22N2O/c21-20(23)18-10-16(15-3-1-2-4-17(15)22-18)19-13-6-11-5-12(8-13)9-14(19)7-11/h1-4,10-14,19H,5-9H2,(H2,21,23)
InChIKey
UKBZNEWQSVAPMB-UHFFFAOYSA-N
Compound name
4-(2-adamantyl)quinoline-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

306.17322 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.18050 166.2
[M+Na]+ 329.16244 167.3
[M-H]- 305.16594 163.3
[M+NH4]+ 324.20704 184.4
[M+K]+ 345.13638 162.0
[M+H-H2O]+ 289.17048 156.5
[M+HCOO]- 351.17142 170.2
[M+CH3COO]- 365.18707 172.5
[M+Na-2H]- 327.14789 174.2
[M]+ 306.17267 163.8
[M]- 306.17377 163.8
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.