CID 489939

Kalasinamide

Structural Information

Molecular Formula

C₁₆H₁₅NO₃

SMILES

CC1=CC(=O)NC2=C(C3=CC=CC=C3C(=C12)OC)OC

InChI

InChI=1S/C16H15NO3/c1-9-8-12(18)17-14-13(9)15(19-2)10-6-4-5-7-11(10)16(14)20-3/h4-8H,1-3H3,(H,17,18)

InChIKey

UAOWKPPYWUJTPK-UHFFFAOYSA-N

Compound name

5,10-dimethoxy-4-methyl-1H-benzo[g]quinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 0
Patents: 269.1052 Da
Monoisotopic Mass: 2.4
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]+	270.112476	158.8
[M+Na]+	292.094418	171.1
[M-H]-	268.097924	163.0
[M+NH4]+	287.139023	176.2
[M+K]+	308.068358	166.1
[M+H-H2O]+	252.102460	151.2
[M+HCOO]-	314.103401	179.8
[M+CH3COO]-	328.119051	198.9
[M+Na-2H]-	290.079866	166.5
[M]+	269.10465142	164.2
[M]-	269.10574858	164.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.