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]+ 376.23833 176.5
[M+Na]+ 398.22027 175.5
[M-H]- 374.22377 174.7
[M+NH4]+ 393.26487 193.6
[M+K]+ 414.19421 169.2
[M+H-H2O]+ 358.22831 163.9
[M+HCOO]- 420.22925 178.0
[M+CH3COO]- 434.24490 181.1
[M+Na-2H]- 396.20572 181.9
[M]+ 375.23050 172.2
[M]- 375.23160 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.