CID 42608137

Alpha,alpha'-diethyl-3,4,3',4'-stilbenetetraol

Structural Information

Molecular Formula
C18H20O4
SMILES
CC/C(=C(/CC)\C1=CC(=CC(=C1)O)O)/C2=CC(=C(C=C2)O)O
InChI
InChI=1S/C18H20O4/c1-3-15(11-5-6-17(21)18(22)9-11)16(4-2)12-7-13(19)10-14(20)8-12/h5-10,19-22H,3-4H2,1-2H3/b16-15+
InChIKey
ZJTGBEWGVMMKMV-FOCLMDBBSA-N
Compound name
4-[(E)-4-(3,5-dihydroxyphenyl)hex-3-en-3-yl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.13617 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.14345 170.7
[M+Na]+ 323.12539 176.9
[M-H]- 299.12889 172.4
[M+NH4]+ 318.16999 183.3
[M+K]+ 339.09933 171.8
[M+H-H2O]+ 283.13343 164.0
[M+HCOO]- 345.13437 186.6
[M+CH3COO]- 359.15002 197.9
[M+Na-2H]- 321.11084 169.5
[M]+ 300.13562 169.1
[M]- 300.13672 169.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.