CID 14841120

Pinostrobin 5-o-glucoside

Structural Information

Molecular Formula

C₂₂H₂₄O₉

SMILES

COC1=CC2=C(C(=O)CC(O2)C3=CC=CC=C3)C(=C1)OC4C(C(C(C(O4)CO)O)O)O

InChI

InChI=1S/C22H24O9/c1-28-12-7-15-18(13(24)9-14(29-15)11-5-3-2-4-6-11)16(8-12)30-22-21(27)20(26)19(25)17(10-23)31-22/h2-8,14,17,19-23,25-27H,9-10H2,1H3

InChIKey

PKWCARAECWHBCL-UHFFFAOYSA-N

Compound name

7-methoxy-2-phenyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 5
Patents: 432.14203 Da
Monoisotopic Mass: 0.7
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]+	433.149306	199.6
[M+Na]+	455.131248	204.4
[M-H]-	431.134754	206.2
[M+NH4]+	450.175853	204.4
[M+K]+	471.105188	204.1
[M+H-H2O]+	415.139290	190.1
[M+HCOO]-	477.140231	208.4
[M+CH3COO]-	491.155881	223.7
[M+Na-2H]-	453.116696	199.1
[M]+	432.14148142	200.2
[M]-	432.14257858	200.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe