CID 238783

2,5-bis[(4-hydroxy-3-methoxyphenyl)methylidene]-1-cyclopentanone

Structural Information

Molecular Formula
C21H20O5
SMILES
COC1=C(C=CC(=C1)C=C2CCC(=CC3=CC(=C(C=C3)O)OC)C2=O)O
InChI
InChI=1S/C21H20O5/c1-25-19-11-13(3-7-17(19)22)9-15-5-6-16(21(15)24)10-14-4-8-18(23)20(12-14)26-2/h3-4,7-12,22-23H,5-6H2,1-2H3
InChIKey
NZSRSKNDCCSSGY-UHFFFAOYSA-N
Compound name
2,5-bis[(4-hydroxy-3-methoxyphenyl)methylidene]cyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

17
References

7
Patents

352.13107 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.13835 184.6
[M+Na]+ 375.12029 197.1
[M+NH4]+ 370.16489 190.5
[M+K]+ 391.09423 192.2
[M-H]- 351.12379 188.1
[M+Na-2H]- 373.10574 189.8
[M]+ 352.13052 187.2
[M]- 352.13162 187.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe