CID 14031069

3-isopentadienyl-3',4,5'-trihydroxystilbene

Structural Information

Molecular Formula
C19H18O3
SMILES
CC(=C)/C=C/C1=C(C=CC(=C1)/C=C/C2=CC(=CC(=C2)O)O)O
InChI
InChI=1S/C19H18O3/c1-13(2)3-7-16-9-14(6-8-19(16)22)4-5-15-10-17(20)12-18(21)11-15/h3-12,20-22H,1H2,2H3/b5-4+,7-3+
InChIKey
MNTCXQWBUINPSP-JLVHPEPXSA-N
Compound name
5-[(E)-2-[4-hydroxy-3-[(1E)-3-methylbuta-1,3-dienyl]phenyl]ethenyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

294.12558 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.13286 169.4
[M+Na]+ 317.11480 176.8
[M-H]- 293.11830 172.5
[M+NH4]+ 312.15940 183.1
[M+K]+ 333.08874 169.8
[M+H-H2O]+ 277.12284 162.7
[M+HCOO]- 339.12378 187.8
[M+CH3COO]- 353.13943 197.8
[M+Na-2H]- 315.10025 169.4
[M]+ 294.12503 167.7
[M]- 294.12613 167.7
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