CID 5273604

4-(2-adamantyl)-n,n-diethyl-quinoline-2-carboxamide

Structural Information

Molecular Formula
C24H30N2O
SMILES
CCN(CC)C(=O)C1=NC2=CC=CC=C2C(=C1)C3C4CC5CC(C4)CC3C5
InChI
InChI=1S/C24H30N2O/c1-3-26(4-2)24(27)22-14-20(19-7-5-6-8-21(19)25-22)23-17-10-15-9-16(12-17)13-18(23)11-15/h5-8,14-18,23H,3-4,9-13H2,1-2H3
InChIKey
BPUCPEOJPHCREN-UHFFFAOYSA-N
Compound name
4-(2-adamantyl)-N,N-diethylquinoline-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

362.2358 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.24308 184.4
[M+Na]+ 385.22502 183.4
[M-H]- 361.22852 182.2
[M+NH4]+ 380.26962 200.9
[M+K]+ 401.19896 178.8
[M+H-H2O]+ 345.23306 173.4
[M+HCOO]- 407.23400 187.7
[M+CH3COO]- 421.24965 189.4
[M+Na-2H]- 383.21047 190.2
[M]+ 362.23525 184.5
[M]- 362.23635 184.5
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.