CID 441694

Hirsutidin

Structural Information

Molecular Formula

C₁₈H₁₇O₇

SMILES

COC1=CC(=C2C=C(C(=[O+]C2=C1)C3=CC(=C(C(=C3)OC)O)OC)O)O

InChI

InChI=1S/C18H16O7/c1-22-10-6-12(19)11-8-13(20)18(25-14(11)7-10)9-4-15(23-2)17(21)16(5-9)24-3/h4-8H,1-3H3,(H2-,19,20,21)/p+1

InChIKey

JGPCLGHKWGCWNO-UHFFFAOYSA-O

Compound name

2-(4-hydroxy-3,5-dimethoxyphenyl)-7-methoxychromenylium-3,5-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 195
Patents: 345.09744 Da
Monoisotopic Mass: None
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]+	346.10472	179.9
[M+Na]+	368.08666	189.6
[M-H]-	344.09016	186.2
[M+NH4]+	363.13126	191.2
[M+K]+	384.06060	182.4
[M+H-H2O]+	328.09470	174.5
[M+HCOO]-	390.09564	197.8
[M+CH3COO]-	404.11129	201.5
[M+Na-2H]-	366.07211	186.2
[M]+	345.09689	185.8
[M]-	345.09799	185.8

Literature stripe

literature stripe

Patent stripe

patents stripe