CID 11056994

121314-69-0

Structural Information

Molecular Formula

C₂₂H₁₄O₄

SMILES

C1=CC=C2C(=C1)C=C(C(=C2C3=C(C(=CC4=CC=CC=C43)C=O)O)O)C=O

InChI

InChI=1S/C22H14O4/c23-11-15-9-13-5-1-3-7-17(13)19(21(15)25)20-18-8-4-2-6-14(18)10-16(12-24)22(20)26/h1-12,25-26H

InChIKey

DENRDANQMQOFEU-UHFFFAOYSA-N

Compound name

4-(3-formyl-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalene-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 29
Patents: 342.0892 Da
Monoisotopic Mass: 5.4
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]+	343.096476	178.7
[M+Na]+	365.078418	189.9
[M-H]-	341.081924	185.9
[M+NH4]+	360.123023	193.0
[M+K]+	381.052358	183.1
[M+H-H2O]+	325.086460	170.0
[M+HCOO]-	387.087401	198.8
[M+CH3COO]-	401.103051	190.2
[M+Na-2H]-	363.063866	184.4
[M]+	342.08865142	182.1
[M]-	342.08974858	182.1

Literature stripe

literature stripe

Patent stripe

patents stripe