CID 16727758

4-(1-adamantyl)-n-(1-piperidyl)quinoline-2-carboxamide

Structural Information

Molecular Formula
C25H31N3O
SMILES
C1CCN(CC1)NC(=O)C2=NC3=CC=CC=C3C(=C2)C45CC6CC(C4)CC(C6)C5
InChI
InChI=1S/C25H31N3O/c29-24(27-28-8-4-1-5-9-28)23-13-21(20-6-2-3-7-22(20)26-23)25-14-17-10-18(15-25)12-19(11-17)16-25/h2-3,6-7,13,17-19H,1,4-5,8-12,14-16H2,(H,27,29)
InChIKey
NXYGIJONJWPJDD-UHFFFAOYSA-N
Compound name
4-(1-adamantyl)-N-piperidin-1-ylquinoline-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

389.2467 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.25398 181.1
[M+Na]+ 412.23592 178.5
[M-H]- 388.23942 178.2
[M+NH4]+ 407.28052 195.4
[M+K]+ 428.20986 172.3
[M+H-H2O]+ 372.24396 166.6
[M+HCOO]- 434.24490 179.8
[M+CH3COO]- 448.26055 184.2
[M+Na-2H]- 410.22137 188.1
[M]+ 389.24615 174.5
[M]- 389.24725 174.5
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.