CID 33354

Fluorocolchicine

Structural Information

Molecular Formula
C22H24FNO6
SMILES
COC1=CC=C2C(=CC1=O)[C@H](CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)CF
InChI
InChI=1S/C22H24FNO6/c1-27-17-8-6-13-14(10-16(17)25)15(24-19(26)11-23)7-5-12-9-18(28-2)21(29-3)22(30-4)20(12)13/h6,8-10,15H,5,7,11H2,1-4H3,(H,24,26)/t15-/m0/s1
InChIKey
KXWHAQUZPQTBGU-HNNXBMFYSA-N
Compound name
2-fluoro-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
1
Annotation Hits

3
References

0
Patents

417.15875 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.16603 192.2
[M+Na]+ 440.14797 197.7
[M+NH4]+ 435.19257 195.1
[M+K]+ 456.12191 195.5
[M-H]- 416.15147 191.9
[M+Na-2H]- 438.13342 192.8
[M]+ 417.15820 192.7
[M]- 417.15930 192.7
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

No patent data available for this compound.