CID 4020240

Sericetin

Structural Information

Molecular Formula

C₂₅H₂₄O₅

SMILES

CC(=CCC1=C2C(=C(C3=C1OC(=C(C3=O)O)C4=CC=CC=C4)O)C=CC(O2)(C)C)C

InChI

InChI=1S/C25H24O5/c1-14(2)10-11-17-23-16(12-13-25(3,4)30-23)19(26)18-20(27)21(28)22(29-24(17)18)15-8-6-5-7-9-15/h5-10,12-13,26,28H,11H2,1-4H3

InChIKey

BPGVKIFGOXGHPB-UHFFFAOYSA-N

Compound name

5,7-dihydroxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-8-phenylpyrano[3,2-g]chromen-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 9
Patents: 404.16238 Da
Monoisotopic Mass: 6.1
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]+	405.169656	199.3
[M+Na]+	427.151598	209.2
[M-H]-	403.155104	207.3
[M+NH4]+	422.196203	210.7
[M+K]+	443.125538	205.9
[M+H-H2O]+	387.159640	190.4
[M+HCOO]-	449.160581	212.8
[M+CH3COO]-	463.176231	224.5
[M+Na-2H]-	425.137046	202.0
[M]+	404.16183142	203.9
[M]-	404.16292858	203.9

Literature stripe

literature stripe

Patent stripe

patents stripe