CID 5274959

Schembl9255291

Structural Information

Molecular Formula

C₂₃H₂₃NO₆

SMILES

CC1=CC2=C(C=C1)N(C(=O)C(=C2OC)C(OC(=O)C)OC(=O)C)CC3=CC=CC=C3

InChI

InChI=1S/C23H23NO6/c1-14-10-11-19-18(12-14)21(28-4)20(23(29-15(2)25)30-16(3)26)22(27)24(19)13-17-8-6-5-7-9-17/h5-12,23H,13H2,1-4H3

InChIKey

UHVHIDIZNKSSMV-UHFFFAOYSA-N

Compound name

[acetyloxy-(1-benzyl-4-methoxy-6-methyl-2-oxoquinolin-3-yl)methyl] acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 409.15253 Da
Monoisotopic Mass: 2.8
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]+	410.159806	195.4
[M+Na]+	432.141748	202.8
[M-H]-	408.145254	201.9
[M+NH4]+	427.186353	205.4
[M+K]+	448.115688	200.3
[M+H-H2O]+	392.149790	185.4
[M+HCOO]-	454.150731	213.4
[M+CH3COO]-	468.166381	226.9
[M+Na-2H]-	430.127196	195.2
[M]+	409.15198142	203.0
[M]-	409.15307858	203.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe