CID 90093

Methanone, (oxybis(2,1-ethanediyloxy(2-hydroxy-4,1-phenylene)))bis(phenyl-

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 220.0
[M+Na]+ 521.15707 222.8
[M-H]- 497.16057 229.0
[M+NH4]+ 516.20167 223.4
[M+K]+ 537.13101 218.6
[M+H-H2O]+ 481.16511 207.4
[M+HCOO]- 543.16605 237.3
[M+CH3COO]- 557.18170 236.5
[M+Na-2H]- 519.14252 218.6
[M]+ 498.16730 223.5
[M]- 498.16840 223.5
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