CID 44257206

Glyzarin

Structural Information

Molecular Formula

C₁₈H₁₄O₄

SMILES

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C18H14O4/c1-10(19)15-14(20)9-8-13-17(21)16(11(2)22-18(13)15)12-6-4-3-5-7-12/h3-9,20H,1-2H3

InChIKey

KTCOGEGNUCOCON-UHFFFAOYSA-N

Compound name

8-acetyl-7-hydroxy-2-methyl-3-phenylchromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 294.0892 Da
Monoisotopic Mass: 3.4
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]+	295.096476	164.7
[M+Na]+	317.078418	175.2
[M-H]-	293.081924	173.0
[M+NH4]+	312.123023	179.5
[M+K]+	333.052358	172.0
[M+H-H2O]+	277.086460	157.1
[M+HCOO]-	339.087401	185.2
[M+CH3COO]-	353.103051	203.2
[M+Na-2H]-	315.063866	169.4
[M]+	294.08865142	168.4
[M]-	294.08974858	168.4

Literature stripe

literature stripe

Patent stripe

patents stripe