CID 541084

N-acetoacetyl-deacetylcolchicine

Structural Information

Molecular Formula
C24H27NO7
SMILES
CC(=O)CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
InChI
InChI=1S/C24H27NO7/c1-13(26)10-21(28)25-17-8-6-14-11-20(30-3)23(31-4)24(32-5)22(14)15-7-9-19(29-2)18(27)12-16(15)17/h7,9,11-12,17H,6,8,10H2,1-5H3,(H,25,28)
InChIKey
GDIQBIGGQLDOAP-UHFFFAOYSA-N
Compound name
3-oxo-N-(1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

441.17874 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.186016 201.7
[M+Na]+ 464.167958 208.7
[M-H]- 440.171464 210.1
[M+NH4]+ 459.212563 212.1
[M+K]+ 480.141898 214.1
[M+H-H2O]+ 424.176000 198.4
[M+HCOO]- 486.176941 217.9
[M+CH3COO]- 500.192591 238.1
[M+Na-2H]- 462.153406 201.1
[M]+ 441.17819142 205.2
[M]- 441.17928858 205.2
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.