CID 12313213

Neoplathymenin

Structural Information

Molecular Formula
C15H12O6
SMILES
C1=CC(=C(C=C1/C=C/C(=O)C2=CC(=C(C=C2O)O)O)O)O
InChI
InChI=1S/C15H12O6/c16-10(9-6-14(20)15(21)7-12(9)18)3-1-8-2-4-11(17)13(19)5-8/h1-7,17-21H/b3-1+
InChIKey
AMYJBIWKBSTSMQ-HNQUOIGGSA-N
Compound name
(E)-3-(3,4-dihydroxyphenyl)-1-(2,4,5-trihydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

288.0634 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.07068 161.9
[M+Na]+ 311.05262 170.0
[M-H]- 287.05612 163.1
[M+NH4]+ 306.09722 174.3
[M+K]+ 327.02656 165.2
[M+H-H2O]+ 271.06066 155.6
[M+HCOO]- 333.06160 178.8
[M+CH3COO]- 347.07725 191.2
[M+Na-2H]- 309.03807 162.5
[M]+ 288.06285 160.7
[M]- 288.06395 160.7
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