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]+ 376.23833 181.3
[M+Na]+ 398.22027 179.5
[M-H]- 374.22377 176.2
[M+NH4]+ 393.26487 194.5
[M+K]+ 414.19421 172.5
[M+H-H2O]+ 358.22831 166.3
[M+HCOO]- 420.22925 176.7
[M+CH3COO]- 434.24490 183.8
[M+Na-2H]- 396.20572 187.4
[M]+ 375.23050 173.8
[M]- 375.23160 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.