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]+ 313.143446 174.0
[M+Na]+ 335.125388 181.4
[M-H]- 311.128894 176.0
[M+NH4]+ 330.169993 186.5
[M+K]+ 351.099328 175.0
[M+H-H2O]+ 295.133430 167.4
[M+HCOO]- 357.134371 190.8
[M+CH3COO]- 371.150021 199.9
[M+Na-2H]- 333.110836 172.8
[M]+ 312.13562142 173.0
[M]- 312.13671858 173.0
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.