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 174.0
[M+Na]+ 335.12539 181.4
[M-H]- 311.12889 176.0
[M+NH4]+ 330.16999 186.5
[M+K]+ 351.09933 175.0
[M+H-H2O]+ 295.13343 167.4
[M+HCOO]- 357.13437 190.8
[M+CH3COO]- 371.15002 199.9
[M+Na-2H]- 333.11084 172.8
[M]+ 312.13562 173.0
[M]- 312.13672 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.