CID 5273599

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

Structural Information

Molecular Formula
C23H28N2O
SMILES
CCCNC(=O)C1=NC2=CC=CC=C2C(=C1)C3C4CC5CC(C4)CC3C5
InChI
InChI=1S/C23H28N2O/c1-2-7-24-23(26)21-13-19(18-5-3-4-6-20(18)25-21)22-16-9-14-8-15(11-16)12-17(22)10-14/h3-6,13-17,22H,2,7-12H2,1H3,(H,24,26)
InChIKey
CIBRMVCLDZKKKC-UHFFFAOYSA-N
Compound name
4-(2-adamantyl)-N-propylquinoline-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

348.22015 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.22743 178.6
[M+Na]+ 371.20937 178.2
[M-H]- 347.21287 175.4
[M+NH4]+ 366.25397 195.3
[M+K]+ 387.18331 172.7
[M+H-H2O]+ 331.21741 168.1
[M+HCOO]- 393.21835 182.0
[M+CH3COO]- 407.23400 183.7
[M+Na-2H]- 369.19482 185.9
[M]+ 348.21960 177.6
[M]- 348.22070 177.6
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.