CID 23757

2-demethylcolchicine

Structural Information

Molecular Formula
C21H23NO6
SMILES
CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)O)OC
InChI
InChI=1S/C21H23NO6/c1-11(23)22-15-7-5-12-9-18(27-3)20(25)21(28-4)19(12)13-6-8-17(26-2)16(24)10-14(13)15/h6,8-10,15,25H,5,7H2,1-4H3,(H,22,23)/t15-/m0/s1
InChIKey
DPOVAJCRYIUTBD-HNNXBMFYSA-N
Compound name
N-[(7S)-2-hydroxy-1,3,10-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

8
References

67
Patents

385.15253 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.15981 190.0
[M+Na]+ 408.14175 197.8
[M-H]- 384.14525 197.7
[M+NH4]+ 403.18635 201.8
[M+K]+ 424.11569 202.3
[M+H-H2O]+ 368.14979 187.2
[M+HCOO]- 430.15073 206.3
[M+CH3COO]- 444.16638 227.6
[M+Na-2H]- 406.12720 190.9
[M]+ 385.15198 191.1
[M]- 385.15308 191.1
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.