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]+ 363.243076 184.4
[M+Na]+ 385.225018 183.4
[M-H]- 361.228524 182.2
[M+NH4]+ 380.269623 200.9
[M+K]+ 401.198958 178.8
[M+H-H2O]+ 345.233060 173.4
[M+HCOO]- 407.234001 187.7
[M+CH3COO]- 421.249651 189.4
[M+Na-2H]- 383.210466 190.2
[M]+ 362.23525142 184.5
[M]- 362.23634858 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.