PubChemLite - 79922-55-7 (C35H26N2O6)

Structural Information

Molecular Formula

SMILES

CC(C)(C1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=O)C=CC3=O)C4=CC=C(C=C4)OC5=CC=C(C=C5)N6C(=O)C=CC6=O

InChI

InChI=1S/C35H26N2O6/c1-35(2,23-3-11-27(12-4-23)42-29-15-7-25(8-16-29)36-31(38)19-20-32(36)39)24-5-13-28(14-6-24)43-30-17-9-26(10-18-30)37-33(40)21-22-34(37)41/h3-22H,1-2H3

InChIKey

XAZPKEBWNIUCKF-UHFFFAOYSA-N

Compound name

1-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]pyrrole-2,5-dione

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]+	571.18638	238.7
[M+Na]+	593.16832	254.7
[M+NH4]+	588.21292	243.1
[M+K]+	609.14226	250.3
[M-H]-	569.17182	247.7
[M+Na-2H]-	591.15377	249.7
[M]+	570.17855	243.6
[M]-	570.17965	243.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

571.18638

238.7

[M+Na]+

593.16832

254.7

[M+NH4]+

588.21292

243.1

[M+K]+

609.14226

250.3

[M-H]-

569.17182

247.7

[M+Na-2H]-

591.15377

249.7

[M]+

570.17855

243.6

[M]-

570.17965

243.6

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

79922-55-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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