CID 129901262

[4-(1-adamantyl)-2-quinolyl]-piperazin-1-yl-methanone

Structural Information

Molecular Formula
C24H29N3O
SMILES
C1CN(CCN1)C(=O)C2=NC3=CC=CC=C3C(=C2)C45CC6CC(C4)CC(C6)C5
InChI
InChI=1S/C24H29N3O/c28-23(27-7-5-25-6-8-27)22-12-20(19-3-1-2-4-21(19)26-22)24-13-16-9-17(14-24)11-18(10-16)15-24/h1-4,12,16-18,25H,5-11,13-15H2
InChIKey
KTJONCIBGDXRSP-UHFFFAOYSA-N
Compound name
[4-(1-adamantyl)quinolin-2-yl]-piperazin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.23105 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.238326 181.3
[M+Na]+ 398.220268 179.5
[M-H]- 374.223774 176.2
[M+NH4]+ 393.264873 194.5
[M+K]+ 414.194208 172.5
[M+H-H2O]+ 358.228310 166.3
[M+HCOO]- 420.229251 176.7
[M+CH3COO]- 434.244901 183.8
[M+Na-2H]- 396.205716 187.4
[M]+ 375.23050142 173.8
[M]- 375.23159858 173.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.