CID 73202

Pinobanksin

Structural Information

Molecular Formula

C₁₅H₁₂O₅

SMILES

C1=CC=C(C=C1)[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)O

InChI

InChI=1S/C15H12O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,14-17,19H/t14-,15+/m0/s1

InChIKey

SUYJZKRQHBQNCA-LSDHHAIUSA-N

Compound name

(2R,3R)-3,5,7-trihydroxy-2-phenyl-2,3-dihydrochromen-4-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 36
References: 458
Patents: 272.06848 Da
Monoisotopic Mass: 2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	273.075756	157.5
[M+Na]+	295.057698	166.3
[M-H]-	271.061204	162.7
[M+NH4]+	290.102303	171.7
[M+K]+	311.031638	163.1
[M+H-H2O]+	255.065740	150.7
[M+HCOO]-	317.066681	174.1
[M+CH3COO]-	331.082331	192.4
[M+Na-2H]-	293.043146	162.4
[M]+	272.06793142	156.7
[M]-	272.06902858	156.7

Literature stripe

literature stripe

Patent stripe

patents stripe