CID 6167

Colchicine

Structural Information

Molecular Formula
C22H25NO6
SMILES
CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
InChI
InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1
InChIKey
IAKHMKGGTNLKSZ-INIZCTEOSA-N
Compound name
N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

16058
References

136665
Patents

399.16818 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.17546 193.5
[M+Na]+ 422.15740 201.3
[M-H]- 398.16090 202.1
[M+NH4]+ 417.20200 205.4
[M+K]+ 438.13134 206.0
[M+H-H2O]+ 382.16544 190.4
[M+HCOO]- 444.16638 210.7
[M+CH3COO]- 458.18203 231.5
[M+Na-2H]- 420.14285 194.3
[M]+ 399.16763 196.3
[M]- 399.16873 196.3
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.