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 193.6
[M+Na]+ 440.14797 201.5
[M-H]- 416.15147 201.2
[M+NH4]+ 435.19257 204.9
[M+K]+ 456.12191 205.9
[M+H-H2O]+ 400.15601 189.8
[M+HCOO]- 462.15695 210.1
[M+CH3COO]- 476.17260 233.6
[M+Na-2H]- 438.13342 194.2
[M]+ 417.15820 195.6
[M]- 417.15930 195.6
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