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

16029
References

92925
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

literature stripe

Patent stripe

patents stripe