CID 453130

2-demethylcolchiceine

Structural Information

Molecular Formula
C20H21NO6
SMILES
CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)O)OC)O)OC
InChI
InChI=1S/C20H21NO6/c1-10(22)21-14-6-4-11-8-17(26-2)19(25)20(27-3)18(11)12-5-7-15(23)16(24)9-13(12)14/h5,7-9,14,25H,4,6H2,1-3H3,(H,21,22)(H,23,24)/t14-/m0/s1
InChIKey
VHIVSZXYLQFNPC-AWEZNQCLSA-N
Compound name
N-[(7S)-2,10-dihydroxy-1,3-dimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

371.1369 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.14418 186.6
[M+Na]+ 394.12612 194.4
[M-H]- 370.12962 193.4
[M+NH4]+ 389.17072 198.3
[M+K]+ 410.10006 198.6
[M+H-H2O]+ 354.13416 184.0
[M+HCOO]- 416.13510 201.9
[M+CH3COO]- 430.15075 223.6
[M+Na-2H]- 392.11157 187.5
[M]+ 371.13635 186.1
[M]- 371.13745 186.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.