CID 9895264

Combretastatin

Structural Information

Molecular Formula
C18H22O6
SMILES
COC1=C(C=C(C=C1)C[C@H](C2=CC(=C(C(=C2)OC)OC)OC)O)O
InChI
InChI=1S/C18H22O6/c1-21-15-6-5-11(8-14(15)20)7-13(19)12-9-16(22-2)18(24-4)17(10-12)23-3/h5-6,8-10,13,19-20H,7H2,1-4H3/t13-/m1/s1
InChIKey
LGZKGOGODCLQHG-CYBMUJFWSA-N
Compound name
5-[(2R)-2-hydroxy-2-(3,4,5-trimethoxyphenyl)ethyl]-2-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

239
References

26217
Patents

334.14163 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.14891 176.1
[M+Na]+ 357.13085 183.6
[M-H]- 333.13435 180.9
[M+NH4]+ 352.17545 188.9
[M+K]+ 373.10479 181.8
[M+H-H2O]+ 317.13889 168.2
[M+HCOO]- 379.13983 196.2
[M+CH3COO]- 393.15548 208.5
[M+Na-2H]- 355.11630 176.6
[M]+ 334.14108 182.9
[M]- 334.14218 182.9
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