CID 90093

23421-22-9

Structural Information

Molecular Formula
C30H26O7
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)OCCOCCOC3=CC(=C(C=C3)C(=O)C4=CC=CC=C4)O)O
InChI
InChI=1S/C30H26O7/c31-27-19-23(11-13-25(27)29(33)21-7-3-1-4-8-21)36-17-15-35-16-18-37-24-12-14-26(28(32)20-24)30(34)22-9-5-2-6-10-22/h1-14,19-20,31-32H,15-18H2
InChIKey
MCVFQMKVVDTIKL-UHFFFAOYSA-N
Compound name
[4-[2-[2-(4-benzoyl-3-hydroxyphenoxy)ethoxy]ethoxy]-2-hydroxyphenyl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

498.16785 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.17513 222.3
[M+Na]+ 521.15707 236.9
[M+NH4]+ 516.20167 226.9
[M+K]+ 537.13101 229.1
[M-H]- 497.16057 228.5
[M+Na-2H]- 519.14252 231.7
[M]+ 498.16730 226.2
[M]- 498.16840 226.2
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