CID 100176

1,2-(methylenedioxy)-1,2-demethylcolchicine

Structural Information

Molecular Formula
C21H21NO6
SMILES
CC(=O)NC1CCC2=CC(=C3C(=C2C4=CC=C(C(=O)C=C14)OC)OCO3)OC
InChI
InChI=1S/C21H21NO6/c1-11(23)22-15-6-4-12-8-18(26-3)20-21(28-10-27-20)19(12)13-5-7-17(25-2)16(24)9-14(13)15/h5,7-9,15H,4,6,10H2,1-3H3,(H,22,23)
InChIKey
RTZOCCKNBIQGFS-UHFFFAOYSA-N
Compound name
N-(5,14-dimethoxy-6-oxo-16,18-dioxatetracyclo[10.7.0.02,8.015,19]nonadeca-1(19),2,4,7,12,14-hexaen-9-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

383.1369 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.14418 197.7
[M+Na]+ 406.12612 203.5
[M+NH4]+ 401.17072 201.6
[M+K]+ 422.10006 202.4
[M-H]- 382.12962 200.3
[M+Na-2H]- 404.11157 196.6
[M]+ 383.13635 199.2
[M]- 383.13745 199.2
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