CID 11366

Cyclovalone

Structural Information

Molecular Formula
C22H22O5
SMILES
COC1=C(C=CC(=C1)C=C2CCCC(=CC3=CC(=C(C=C3)O)OC)C2=O)O
InChI
InChI=1S/C22H22O5/c1-26-20-12-14(6-8-18(20)23)10-16-4-3-5-17(22(16)25)11-15-7-9-19(24)21(13-15)27-2/h6-13,23-24H,3-5H2,1-2H3
InChIKey
DHKKONBXGAAFTB-UHFFFAOYSA-N
Compound name
2,6-bis[(4-hydroxy-3-methoxyphenyl)methylidene]cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

31
References

488
Patents

366.14673 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.15401 186.5
[M+Na]+ 389.13595 192.9
[M-H]- 365.13945 193.5
[M+NH4]+ 384.18055 197.5
[M+K]+ 405.10989 187.3
[M+H-H2O]+ 349.14399 177.7
[M+HCOO]- 411.14493 203.6
[M+CH3COO]- 425.16058 212.6
[M+Na-2H]- 387.12140 184.9
[M]+ 366.14618 185.0
[M]- 366.14728 185.0
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.