CID 100174

1,2-didemethylcolchicine

Structural Information

Molecular Formula

C₂₀H₂₁NO₆

SMILES

CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)O)O)OC

InChI

InChI=1S/C20H21NO6/c1-10(22)21-14-6-4-11-8-17(27-3)19(24)20(25)18(11)12-5-7-16(26-2)15(23)9-13(12)14/h5,7-9,14,24-25H,4,6H2,1-3H3,(H,21,22)

InChIKey

QCOIAAVYXNEUDX-UHFFFAOYSA-N

Compound name

N-(1,2-dihydroxy-3,10-dimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 371.1369 Da
Monoisotopic Mass: 0.2
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]+	372.144176	186.6
[M+Na]+	394.126118	194.4
[M-H]-	370.129624	193.4
[M+NH4]+	389.170723	198.3
[M+K]+	410.100058	198.6
[M+H-H2O]+	354.134160	184.0
[M+HCOO]-	416.135101	201.9
[M+CH3COO]-	430.150751	223.6
[M+Na-2H]-	392.111566	187.5
[M]+	371.13635142	186.1
[M]-	371.13744858	186.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe