CID 15219596

[5-benzoyl-2,4-dihydroxy-3-(3-triethoxysilylpropyl)phenyl]-phenylmethanone

Structural Information

Molecular Formula
C29H34O7Si
SMILES
CCO[Si](CCCC1=C(C(=CC(=C1O)C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3)O)(OCC)OCC
InChI
InChI=1S/C29H34O7Si/c1-4-34-37(35-5-2,36-6-3)19-13-18-23-28(32)24(26(30)21-14-9-7-10-15-21)20-25(29(23)33)27(31)22-16-11-8-12-17-22/h7-12,14-17,20,32-33H,4-6,13,18-19H2,1-3H3
InChIKey
XMUJOZHWDJHRDO-UHFFFAOYSA-N
Compound name
[5-benzoyl-2,4-dihydroxy-3-(3-triethoxysilylpropyl)phenyl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

243
Patents

522.2074 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 523.21468 226.1
[M+Na]+ 545.19662 228.2
[M-H]- 521.20012 231.8
[M+NH4]+ 540.24122 230.1
[M+K]+ 561.17056 224.9
[M+H-H2O]+ 505.20466 215.1
[M+HCOO]- 567.20560 240.8
[M+CH3COO]- 581.22125 240.7
[M+Na-2H]- 543.18207 223.6
[M]+ 522.20685 232.3
[M]- 522.20795 232.3
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