CID 5320954

Rhapontigenin

Structural Information

Molecular Formula
C15H14O4
SMILES
COC1=C(C=C(C=C1)/C=C/C2=CC(=CC(=C2)O)O)O
InChI
InChI=1S/C15H14O4/c1-19-15-5-4-10(8-14(15)18)2-3-11-6-12(16)9-13(17)7-11/h2-9,16-18H,1H3/b3-2+
InChIKey
PHMHDRYYFAYWEG-NSCUHMNNSA-N
Compound name
5-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

41
References

212
Patents

258.0892 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.09648 156.7
[M+Na]+ 281.07842 165.3
[M-H]- 257.08192 160.3
[M+NH4]+ 276.12302 172.0
[M+K]+ 297.05236 160.5
[M+H-H2O]+ 241.08646 150.1
[M+HCOO]- 303.08740 177.2
[M+CH3COO]- 317.10305 189.2
[M+Na-2H]- 279.06387 160.0
[M]+ 258.08865 157.1
[M]- 258.08975 157.1
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.