CID 5273600

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

Structural Information

Molecular Formula
C24H30N2O
SMILES
CCCCNC(=O)C1=NC2=CC=CC=C2C(=C1)C3C4CC5CC(C4)CC3C5
InChI
InChI=1S/C24H30N2O/c1-2-3-8-25-24(27)22-14-20(19-6-4-5-7-21(19)26-22)23-17-10-15-9-16(12-17)13-18(23)11-15/h4-7,14-18,23H,2-3,8-13H2,1H3,(H,25,27)
InChIKey
UZQYJFHKDIRREX-UHFFFAOYSA-N
Compound name
4-(2-adamantyl)-N-butylquinoline-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

362.2358 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.243076 183.1
[M+Na]+ 385.225018 182.2
[M-H]- 361.228524 179.6
[M+NH4]+ 380.269623 199.1
[M+K]+ 401.198958 176.5
[M+H-H2O]+ 345.233060 172.3
[M+HCOO]- 407.234001 186.1
[M+CH3COO]- 421.249651 187.7
[M+Na-2H]- 383.210466 189.8
[M]+ 362.23525142 182.3
[M]- 362.23634858 182.3
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.