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]+ 363.24308 183.1
[M+Na]+ 385.22502 182.2
[M-H]- 361.22852 179.6
[M+NH4]+ 380.26962 199.1
[M+K]+ 401.19896 176.5
[M+H-H2O]+ 345.23306 172.3
[M+HCOO]- 407.23400 186.1
[M+CH3COO]- 421.24965 187.7
[M+Na-2H]- 383.21047 189.8
[M]+ 362.23525 182.3
[M]- 362.23635 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.