CID 1242235

Ec 424-210-0

Structural Information

Molecular Formula
C29H24O7
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)OCC(COC3=CC(=C(C=C3)C(=O)C4=CC=CC=C4)O)O)O
InChI
InChI=1S/C29H24O7/c30-21(17-35-22-11-13-24(26(31)15-22)28(33)19-7-3-1-4-8-19)18-36-23-12-14-25(27(32)16-23)29(34)20-9-5-2-6-10-20/h1-16,21,30-32H,17-18H2
InChIKey
VZYBFCDYFROPPK-UHFFFAOYSA-N
Compound name
[4-[3-(4-benzoyl-3-hydroxyphenoxy)-2-hydroxypropoxy]-2-hydroxyphenyl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

35
Patents

484.1522 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.15948 214.6
[M+Na]+ 507.14142 217.0
[M-H]- 483.14492 222.6
[M+NH4]+ 502.18602 217.8
[M+K]+ 523.11536 213.1
[M+H-H2O]+ 467.14946 202.9
[M+HCOO]- 529.15040 229.8
[M+CH3COO]- 543.16605 232.8
[M+Na-2H]- 505.12687 212.4
[M]+ 484.15165 215.6
[M]- 484.15275 215.6
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