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]+ 426.191116 200.7
[M+Na]+ 448.173058 208.1
[M-H]- 424.176564 209.1
[M+NH4]+ 443.217663 211.7
[M+K]+ 464.146998 212.0
[M+H-H2O]+ 408.181100 197.4
[M+HCOO]- 470.182041 217.5
[M+CH3COO]- 484.197691 235.1
[M+Na-2H]- 446.158506 200.6
[M]+ 425.18329142 203.4
[M]- 425.18438858 203.4
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.