CID 5318093

155416-21-0

Structural Information

Molecular Formula

C₂₀H₂₃NO₃

SMILES

CC(C)C(=O)CCC1(C=CC2=C(O1)C3=CC=CC=C3N(C2=O)C)C

InChI

InChI=1S/C20H23NO3/c1-13(2)17(22)10-12-20(3)11-9-15-18(24-20)14-7-5-6-8-16(14)21(4)19(15)23/h5-9,11,13H,10,12H2,1-4H3

InChIKey

NYATVLNHGXEKDI-UHFFFAOYSA-N

Compound name

2,6-dimethyl-2-(4-methyl-3-oxopentyl)pyrano[3,2-c]quinolin-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 325.1678 Da
Monoisotopic Mass: 2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	326.175076	177.1
[M+Na]+	348.157018	185.9
[M-H]-	324.160524	181.8
[M+NH4]+	343.201623	192.9
[M+K]+	364.130958	183.0
[M+H-H2O]+	308.165060	168.9
[M+HCOO]-	370.166001	192.6
[M+CH3COO]-	384.181651	213.2
[M+Na-2H]-	346.142466	181.3
[M]+	325.16725142	181.4
[M]-	325.16834858	181.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.