CID 626284

Dtxsid70347818

Structural Information

Molecular Formula

C₁₈H₁₄O₄

SMILES

COC1=C(C=C(C=C1)C=C2C(=O)C3=CC=CC=C3C2=O)OC

InChI

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

InChIKey

OVHSLRSKIAKFOH-UHFFFAOYSA-N

Compound name

2-[(3,4-dimethoxyphenyl)methylidene]indene-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 3
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	164.8
[M+Na]+	317.078418	175.1
[M-H]-	293.081924	173.4
[M+NH4]+	312.123023	183.5
[M+K]+	333.052358	170.6
[M+H-H2O]+	277.086460	158.1
[M+HCOO]-	339.087401	188.3
[M+CH3COO]-	353.103051	203.0
[M+Na-2H]-	315.063866	166.9
[M]+	294.08865142	168.9
[M]-	294.08974858	168.9

Literature stripe

literature stripe

Patent stripe

patents stripe