CID 5378171

Saltillin

Structural Information

Molecular Formula

C₁₇H₁₄O₄

SMILES

CC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)OC)O

InChI

InChI=1S/C17H14O4/c1-10-7-13(18)17-14(19)9-15(21-16(17)8-10)11-3-5-12(20-2)6-4-11/h3-9,18H,1-2H3

InChIKey

BSEYWXDBSOCPQP-UHFFFAOYSA-N

Compound name

5-hydroxy-2-(4-methoxyphenyl)-7-methylchromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 140
Patents: 282.0892 Da
Monoisotopic Mass: 2.8
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]+	283.096476	161.5
[M+Na]+	305.078418	172.5
[M-H]-	281.081924	169.9
[M+NH4]+	300.123023	177.0
[M+K]+	321.052358	169.5
[M+H-H2O]+	265.086460	153.9
[M+HCOO]-	327.087401	183.1
[M+CH3COO]-	341.103051	200.0
[M+Na-2H]-	303.063866	167.9
[M]+	282.08865142	166.2
[M]-	282.08974858	166.2

Literature stripe

literature stripe

Patent stripe

patents stripe