CID 16727757

4-(1-adamantyl)-n-pyrrolidin-1-yl-quinoline-2-carboxamide

Structural Information

Molecular Formula
C24H29N3O
SMILES
C1CCN(C1)NC(=O)C2=NC3=CC=CC=C3C(=C2)C45CC6CC(C4)CC(C6)C5
InChI
InChI=1S/C24H29N3O/c28-23(26-27-7-3-4-8-27)22-12-20(19-5-1-2-6-21(19)25-22)24-13-16-9-17(14-24)11-18(10-16)15-24/h1-2,5-6,12,16-18H,3-4,7-11,13-15H2,(H,26,28)
InChIKey
UJZPVLVCSXTDIR-UHFFFAOYSA-N
Compound name
4-(1-adamantyl)-N-pyrrolidin-1-ylquinoline-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

375.23105 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.238326 176.5
[M+Na]+ 398.220268 175.5
[M-H]- 374.223774 174.7
[M+NH4]+ 393.264873 193.6
[M+K]+ 414.194208 169.2
[M+H-H2O]+ 358.228310 163.9
[M+HCOO]- 420.229251 178.0
[M+CH3COO]- 434.244901 181.1
[M+Na-2H]- 396.205716 181.9
[M]+ 375.23050142 172.2
[M]- 375.23159858 172.2
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.