PubChemLite - N-(3,4,5-trimethoxybenzoyl)deacetylcolchicine (C30H33NO9)

Structural Information

Molecular Formula

SMILES

COC1=CC=C2C(=CC1=O)[C@H](CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)C4=CC(=C(C(=C4)OC)OC)OC

InChI

InChI=1S/C30H33NO9/c1-34-22-11-9-18-19(15-21(22)32)20(10-8-16-12-25(37-4)28(39-6)29(40-7)26(16)18)31-30(33)17-13-23(35-2)27(38-5)24(14-17)36-3/h9,11-15,20H,8,10H2,1-7H3,(H,31,33)/t20-/m0/s1

InChIKey

YWIKVBNQUVBQEN-FQEVSTJZSA-N

Compound name

3,4,5-trimethoxy-N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]benzamide

Related CIDs

2D Structure

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]+	552.22278	232.0
[M+Na]+	574.20472	239.0
[M-H]-	550.20822	243.0
[M+NH4]+	569.24932	238.7
[M+K]+	590.17866	246.5
[M+H-H2O]+	534.21276	227.0
[M+HCOO]-	596.21370	247.8
[M+CH3COO]-	610.22935	255.1
[M+Na-2H]-	572.19017	229.7
[M]+	551.21495	238.8
[M]-	551.21605	238.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

552.22278

232.0

[M+Na]+

574.20472

239.0

[M-H]-

550.20822

243.0

[M+NH4]+

569.24932

238.7

[M+K]+

590.17866

246.5

[M+H-H2O]+

534.21276

227.0

[M+HCOO]-

596.21370

247.8

[M+CH3COO]-

610.22935

255.1

[M+Na-2H]-

572.19017

229.7

[M]+

551.21495

238.8

[M]-

551.21605

238.8

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

N-(3,4,5-trimethoxybenzoyl)deacetylcolchicine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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