CID 234105

Colchiceine

Structural Information

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

2D Structure

compound 2d structure
5
Annotation Hits

44
References

420
Patents

385.15253 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.159806 190.0
[M+Na]+ 408.141748 197.8
[M-H]- 384.145254 197.7
[M+NH4]+ 403.186353 201.8
[M+K]+ 424.115688 202.3
[M+H-H2O]+ 368.149790 187.2
[M+HCOO]- 430.150731 206.3
[M+CH3COO]- 444.166381 227.6
[M+Na-2H]- 406.127196 190.9
[M]+ 385.15198142 191.1
[M]- 385.15307858 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

literature stripe

Patent stripe

patents stripe