CID 131751057

4-(3-methyl-1-butenyl)-3,3',4',5-tetrahydroxystilbene

Structural Information

Molecular Formula
C19H20O4
SMILES
CC(C)/C=C/C1=C(C=C(C=C1O)/C=C\C2=CC(=C(C=C2)O)O)O
InChI
InChI=1S/C19H20O4/c1-12(2)3-7-15-17(21)10-14(11-18(15)22)5-4-13-6-8-16(20)19(23)9-13/h3-12,20-23H,1-2H3/b5-4-,7-3+
InChIKey
YOWZUITYQFPEGQ-SBYNAHCQSA-N
Compound name
5-[(Z)-2-(3,4-dihydroxyphenyl)ethenyl]-2-[(E)-3-methylbut-1-enyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.13617 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.14345 175.8
[M+Na]+ 335.12539 188.3
[M+NH4]+ 330.16999 181.3
[M+K]+ 351.09933 182.3
[M-H]- 311.12889 177.3
[M+Na-2H]- 333.11084 180.2
[M]+ 312.13562 177.8
[M]- 312.13672 177.8
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.