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

2
Patents

371.1369 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.14418 186.0
[M+Na]+ 394.12612 191.9
[M+NH4]+ 389.17072 189.3
[M+K]+ 410.10006 190.2
[M-H]- 370.12962 186.2
[M+Na-2H]- 392.11157 186.7
[M]+ 371.13635 186.8
[M]- 371.13745 186.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe