CID 3062901

N-acryloyldeacetylcolchicine

Structural Information

Molecular Formula
C23H25NO6
SMILES
COC1=CC=C2C(=CC1=O)[C@H](CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)C=C
InChI
InChI=1S/C23H25NO6/c1-6-20(26)24-16-9-7-13-11-19(28-3)22(29-4)23(30-5)21(13)14-8-10-18(27-2)17(25)12-15(14)16/h6,8,10-12,16H,1,7,9H2,2-5H3,(H,24,26)/t16-/m0/s1
InChIKey
FDZRVFQZHYQLDA-INIZCTEOSA-N
Compound name
N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

411.16818 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.17546 196.7
[M+Na]+ 434.15740 204.4
[M-H]- 410.16090 205.2
[M+NH4]+ 429.20200 208.1
[M+K]+ 450.13134 208.4
[M+H-H2O]+ 394.16544 193.5
[M+HCOO]- 456.16638 213.7
[M+CH3COO]- 470.18203 233.3
[M+Na-2H]- 432.14285 197.0
[M]+ 411.16763 199.2
[M]- 411.16873 199.2
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.