CID 6451115

N-(3,4,5-trimethoxycinnamoyl)-n-deacetylcolchicine

Structural Information

Molecular Formula
C32H35NO9
SMILES
COC1=CC=C2C(=CC1=O)[C@H](CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)/C=C/C4=CC(=C(C(=C4)OC)OC)OC
InChI
InChI=1S/C32H35NO9/c1-36-24-12-10-20-21(17-23(24)34)22(11-9-19-16-27(39-4)31(41-6)32(42-7)29(19)20)33-28(35)13-8-18-14-25(37-2)30(40-5)26(15-18)38-3/h8,10,12-17,22H,9,11H2,1-7H3,(H,33,35)/b13-8+/t22-/m0/s1
InChIKey
PPEOGDNAOPHKRF-SYZXBLONSA-N
Compound name
(E)-N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

577.2312 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 578.23848 239.0
[M+Na]+ 600.22042 245.5
[M-H]- 576.22392 249.7
[M+NH4]+ 595.26502 244.7
[M+K]+ 616.19436 252.3
[M+H-H2O]+ 560.22846 233.7
[M+HCOO]- 622.22940 254.3
[M+CH3COO]- 636.24505 258.6
[M+Na-2H]- 598.20587 235.9
[M]+ 577.23065 245.6
[M]- 577.23175 245.6
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.