CID 5409956

2,5-bis(2-hydroxybenzylidene)-1-cyclopentanone

Structural Information

Molecular Formula
C19H16O3
SMILES
C1/C(=C\C2=CC=CC=C2O)/C(=O)/C(=C/C3=CC=CC=C3O)/C1
InChI
InChI=1S/C19H16O3/c20-17-7-3-1-5-13(17)11-15-9-10-16(19(15)22)12-14-6-2-4-8-18(14)21/h1-8,11-12,20-21H,9-10H2/b15-11+,16-12+
InChIKey
SWXUQQKBZLHYOF-JOBJLJCHSA-N
Compound name
(2E,5E)-2,5-bis[(2-hydroxyphenyl)methylidene]cyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

292.10995 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.117226 167.9
[M+Na]+ 315.099168 175.1
[M-H]- 291.102674 175.3
[M+NH4]+ 310.143773 183.7
[M+K]+ 331.073108 168.3
[M+H-H2O]+ 275.107210 160.8
[M+HCOO]- 337.108151 188.1
[M+CH3COO]- 351.123801 195.8
[M+Na-2H]- 313.084616 167.4
[M]+ 292.10940142 163.9
[M]- 292.11049858 163.9
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

No patent data available for this compound.