CID 3033718

N-carbethoxydeacetylcolchicine

Structural Information

Molecular Formula
C23H27NO7
SMILES
CCOC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
InChI
InChI=1S/C23H27NO7/c1-6-31-23(26)24-16-9-7-13-11-19(28-3)21(29-4)22(30-5)20(13)14-8-10-18(27-2)17(25)12-15(14)16/h8,10-12,16H,6-7,9H2,1-5H3,(H,24,26)/t16-/m0/s1
InChIKey
NLHICQCHEWUHCR-INIZCTEOSA-N
Compound name
ethyl N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

1
Patents

429.17874 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.18602 199.1
[M+Na]+ 452.16796 204.9
[M+NH4]+ 447.21256 202.1
[M+K]+ 468.14190 202.5
[M-H]- 428.17146 199.5
[M+Na-2H]- 450.15341 199.6
[M]+ 429.17819 199.9
[M]- 429.17929 199.9
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

patents stripe