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]+ 409.248576 195.8
[M+Na]+ 431.230518 195.7
[M-H]- 407.234024 191.3
[M+NH4]+ 426.275123 211.3
[M+K]+ 447.204458 190.8
[M+H-H2O]+ 391.238560 185.3
[M+HCOO]- 453.239501 196.0
[M+CH3COO]- 467.255151 199.5
[M+Na-2H]- 429.215966 201.4
[M]+ 408.24075142 196.1
[M]- 408.24184858 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.