CID 5351344

Combretastatin a4

Structural Information

Molecular Formula
C18H20O5
SMILES
COC1=C(C=C(C=C1)/C=C\C2=CC(=C(C(=C2)OC)OC)OC)O
InChI
InChI=1S/C18H20O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11,19H,1-4H3/b6-5-
InChIKey
HVXBOLULGPECHP-WAYWQWQTSA-N
Compound name
2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1060
References

30577
Patents

316.13107 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.138346 171.9
[M+Na]+ 339.120288 180.8
[M-H]- 315.123794 178.1
[M+NH4]+ 334.164893 186.4
[M+K]+ 355.094228 177.9
[M+H-H2O]+ 299.128330 164.0
[M+HCOO]- 361.129271 194.6
[M+CH3COO]- 375.144921 206.3
[M+Na-2H]- 337.105736 174.0
[M]+ 316.13052142 178.9
[M]- 316.13161858 178.9
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