CID 26719

Deacetamido-6-dehydrocolchicine

Structural Information

Molecular Formula

C₂₀H₂₀O₅

SMILES

COC1=CC=C2C(=CC1=O)CC=CC3=CC(=C(C(=C32)OC)OC)OC

InChI

InChI=1S/C20H20O5/c1-22-16-9-8-14-12(10-15(16)21)6-5-7-13-11-17(23-2)19(24-3)20(25-4)18(13)14/h5,7-11H,6H2,1-4H3

InChIKey

FQJNWAQADVOLFC-UHFFFAOYSA-N

Compound name

1,2,3,10-tetramethoxy-7H-benzo[a]heptalen-9-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 340.13107 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]+	341.138346	179.3
[M+Na]+	363.120288	189.0
[M-H]-	339.123794	188.3
[M+NH4]+	358.164893	193.5
[M+K]+	379.094228	192.1
[M+H-H2O]+	323.128330	177.4
[M+HCOO]-	385.129271	198.1
[M+CH3COO]-	399.144921	220.2
[M+Na-2H]-	361.105736	182.6
[M]+	340.13052142	182.9
[M]-	340.13161858	182.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.