CID 54706381

Oprea1_499822

Structural Information

Molecular Formula
C25H32N2O3
SMILES
CC(C)CCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC34CC5CC(C3)CC(C5)C4)O
InChI
InChI=1S/C25H32N2O3/c1-15(2)7-8-27-20-6-4-3-5-19(20)22(28)21(24(27)30)23(29)26-25-12-16-9-17(13-25)11-18(10-16)14-25/h3-6,15-18,28H,7-14H2,1-2H3,(H,26,29)
InChIKey
QLOJXPXSYJTTMY-UHFFFAOYSA-N
Compound name
N-(1-adamantyl)-4-hydroxy-1-(3-methylbutyl)-2-oxoquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

408.2413 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.24858 195.8
[M+Na]+ 431.23052 195.7
[M-H]- 407.23402 191.3
[M+NH4]+ 426.27512 211.3
[M+K]+ 447.20446 190.8
[M+H-H2O]+ 391.23856 185.3
[M+HCOO]- 453.23950 196.0
[M+CH3COO]- 467.25515 199.5
[M+Na-2H]- 429.21597 201.4
[M]+ 408.24075 196.1
[M]- 408.24185 196.1
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.