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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.13835 179.3
[M+Na]+ 363.12029 189.0
[M-H]- 339.12379 188.3
[M+NH4]+ 358.16489 193.5
[M+K]+ 379.09423 192.1
[M+H-H2O]+ 323.12833 177.4
[M+HCOO]- 385.12927 198.1
[M+CH3COO]- 399.14492 220.2
[M+Na-2H]- 361.10574 182.6
[M]+ 340.13052 182.9
[M]- 340.13162 182.9
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.