CID 5468150

Nsc665376

Structural Information

Molecular Formula
C18H16O4
SMILES
COC1=CC2=C(C=C1)C(=O)/C(=C/C3=CC(=C(C=C3)O)OC)/C2
InChI
InChI=1S/C18H16O4/c1-21-14-4-5-15-12(10-14)9-13(18(15)20)7-11-3-6-16(19)17(8-11)22-2/h3-8,10,19H,9H2,1-2H3/b13-7+
InChIKey
JFCINICPADEORI-NTUHNPAUSA-N
Compound name
(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-methoxy-3H-inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

296.10486 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.11214 166.5
[M+Na]+ 319.09408 176.0
[M-H]- 295.09758 173.7
[M+NH4]+ 314.13868 184.5
[M+K]+ 335.06802 171.3
[M+H-H2O]+ 279.10212 160.0
[M+HCOO]- 341.10306 188.3
[M+CH3COO]- 355.11871 201.3
[M+Na-2H]- 317.07953 168.2
[M]+ 296.10431 169.5
[M]- 296.10541 169.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe