PubChemLite - 103637-48-5 (C33H28O8)

Structural Information

Molecular Formula

SMILES

CC(=C)C(=O)OC(COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O)COC3=CC(=C(C=C3)C(=O)C4=CC=CC=C4)O

InChI

InChI=1S/C33H28O8/c1-21(2)33(38)41-26(19-39-24-13-15-27(29(34)17-24)31(36)22-9-5-3-6-10-22)20-40-25-14-16-28(30(35)18-25)32(37)23-11-7-4-8-12-23/h3-18,26,34-35H,1,19-20H2,2H3

InChIKey

RXULRQCENNCUGC-UHFFFAOYSA-N

Compound name

1,3-bis(4-benzoyl-3-hydroxyphenoxy)propan-2-yl 2-methylprop-2-enoate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	553.18568	230.4
[M+Na]+	575.16762	242.7
[M+NH4]+	570.21222	233.0
[M+K]+	591.14156	237.5
[M-H]-	551.17112	234.9
[M+Na-2H]-	573.15307	237.8
[M]+	552.17785	233.1
[M]-	552.17895	233.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

553.18568

230.4

[M+Na]+

575.16762

242.7

[M+NH4]+

570.21222

233.0

[M+K]+

591.14156

237.5

[M-H]-

551.17112

234.9

[M+Na-2H]-

573.15307

237.8

[M]+

552.17785

233.1

[M]-

552.17895

233.1

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

103637-48-5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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