CID 5315426

155416-20-9

Structural Information

Molecular Formula

C₂₀H₂₃NO₂

SMILES

CC(=CCCC1(C=CC2=C(O1)C3=CC=CC=C3N(C2=O)C)C)C

InChI

InChI=1S/C20H23NO2/c1-14(2)8-7-12-20(3)13-11-16-18(23-20)15-9-5-6-10-17(15)21(4)19(16)22/h5-6,8-11,13H,7,12H2,1-4H3

InChIKey

VMCDFWKTDCXEJZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 309.17288 Da
Monoisotopic Mass: 4.1
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]+	310.18016	174.3
[M+Na]+	332.16210	183.8
[M-H]-	308.16560	179.1
[M+NH4]+	327.20670	191.1
[M+K]+	348.13604	179.6
[M+H-H2O]+	292.17014	166.2
[M+HCOO]-	354.17108	190.8
[M+CH3COO]-	368.18673	209.5
[M+Na-2H]-	330.14755	179.5
[M]+	309.17233	177.7
[M]-	309.17343	177.7

Literature stripe

literature stripe

Patent stripe

patents stripe