CID 6435572

N-crotonyldeacetylcolchicine

Structural Information

Molecular Formula
C24H27NO6
SMILES
C/C=C/C(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
InChI
InChI=1S/C24H27NO6/c1-6-7-21(27)25-17-10-8-14-12-20(29-3)23(30-4)24(31-5)22(14)15-9-11-19(28-2)18(26)13-16(15)17/h6-7,9,11-13,17H,8,10H2,1-5H3,(H,25,27)/b7-6+
InChIKey
MWTHYSKRFACTTJ-VOTSOKGWSA-N
Compound name
(E)-N-(1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)but-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.18384 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.19112 199.9
[M+Na]+ 448.17306 205.9
[M+NH4]+ 443.21766 203.0
[M+K]+ 464.14700 202.9
[M-H]- 424.17656 200.5
[M+Na-2H]- 446.15851 200.4
[M]+ 425.18329 200.8
[M]- 425.18439 200.8
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

No patent data available for this compound.