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]+ 412.175456 196.7
[M+Na]+ 434.157398 204.4
[M-H]- 410.160904 205.2
[M+NH4]+ 429.202003 208.1
[M+K]+ 450.131338 208.4
[M+H-H2O]+ 394.165440 193.5
[M+HCOO]- 456.166381 213.7
[M+CH3COO]- 470.182031 233.3
[M+Na-2H]- 432.142846 197.0
[M]+ 411.16763142 199.2
[M]- 411.16872858 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.