CID 5273601

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

Structural Information

Molecular Formula
C25H32N2O
SMILES
CCCCCNC(=O)C1=NC2=CC=CC=C2C(=C1)C3C4CC5CC(C4)CC3C5
InChI
InChI=1S/C25H32N2O/c1-2-3-6-9-26-25(28)23-15-21(20-7-4-5-8-22(20)27-23)24-18-11-16-10-17(13-18)14-19(24)12-16/h4-5,7-8,15-19,24H,2-3,6,9-14H2,1H3,(H,26,28)
InChIKey
HVYSKFALOPBXIG-UHFFFAOYSA-N
Compound name
4-(2-adamantyl)-N-pentylquinoline-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

376.25146 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.25874 187.5
[M+Na]+ 399.24068 186.1
[M-H]- 375.24418 183.8
[M+NH4]+ 394.28528 203.0
[M+K]+ 415.21462 180.2
[M+H-H2O]+ 359.24872 176.5
[M+HCOO]- 421.24966 190.1
[M+CH3COO]- 435.26531 191.7
[M+Na-2H]- 397.22613 193.7
[M]+ 376.25091 187.0
[M]- 376.25201 187.0
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.