PubChemLite - 3-anthracen-9-yl-1-(4-(3-anthracen-9-yl-acryloyl)-phenyl)-propenone (C40H26O2)

Structural Information

Molecular Formula

SMILES

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C=CC(=O)C4=CC=C(C=C4)C(=O)C=CC5=C6C=CC=CC6=CC7=CC=CC=C75

InChI

InChI=1S/C40H26O2/c41-39(23-21-37-33-13-5-1-9-29(33)25-30-10-2-6-14-34(30)37)27-17-19-28(20-18-27)40(42)24-22-38-35-15-7-3-11-31(35)26-32-12-4-8-16-36(32)38/h1-26H

InChIKey

VZFIUAFFXORRFQ-UHFFFAOYSA-N

Compound name

3-anthracen-9-yl-1-[4-(3-anthracen-9-ylprop-2-enoyl)phenyl]prop-2-en-1-one

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]+	539.20058	238.9
[M+Na]+	561.18252	245.0
[M-H]-	537.18602	249.7
[M+NH4]+	556.22712	245.2
[M+K]+	577.15646	234.2
[M+H-H2O]+	521.19056	223.4
[M+HCOO]-	583.19150	253.5
[M+CH3COO]-	597.20715	244.2
[M+Na-2H]-	559.16797	241.4
[M]+	538.19275	239.2
[M]-	538.19385	239.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

539.20058

238.9

[M+Na]+

561.18252

245.0

[M-H]-

537.18602

249.7

[M+NH4]+

556.22712

245.2

[M+K]+

577.15646

234.2

[M+H-H2O]+

521.19056

223.4

[M+HCOO]-

583.19150

253.5

[M+CH3COO]-

597.20715

244.2

[M+Na-2H]-

559.16797

241.4

[M]+

538.19275

239.2

[M]-

538.19385

239.2

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

3-anthracen-9-yl-1-(4-(3-anthracen-9-yl-acryloyl)-phenyl)-propenone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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