CID 6439876

3,4-o-isopropylidene-3,3',4,5'-tetrahydroxystilbene

Structural Information

Molecular Formula
C17H16O4
SMILES
CC1(OC2=C(O1)C=C(C=C2)/C=C/C3=CC(=CC(=C3)O)O)C
InChI
InChI=1S/C17H16O4/c1-17(2)20-15-6-5-11(9-16(15)21-17)3-4-12-7-13(18)10-14(19)8-12/h3-10,18-19H,1-2H3/b4-3+
InChIKey
WDSMCLLELZZMDO-ONEGZZNKSA-N
Compound name
5-[(E)-2-(2,2-dimethyl-1,3-benzodioxol-5-yl)ethenyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

284.10486 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.112136 163.9
[M+Na]+ 307.094078 173.8
[M-H]- 283.097584 171.3
[M+NH4]+ 302.138683 181.1
[M+K]+ 323.068018 171.1
[M+H-H2O]+ 267.102120 158.5
[M+HCOO]- 329.103061 182.6
[M+CH3COO]- 343.118711 176.6
[M+Na-2H]- 305.079526 169.0
[M]+ 284.10431142 166.8
[M]- 284.10540858 166.8
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