PubChemLite - N1,n4-bis[4-(1,3-benzoxazol-2-yl)phenyl]terephthalamide (C34H22N4O4)

Structural Information

Molecular Formula

SMILES

C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)C(=O)NC5=CC=C(C=C5)C6=NC7=CC=CC=C7O6

InChI

InChI=1S/C34H22N4O4/c39-31(35-25-17-13-23(14-18-25)33-37-27-5-1-3-7-29(27)41-33)21-9-11-22(12-10-21)32(40)36-26-19-15-24(16-20-26)34-38-28-6-2-4-8-30(28)42-34/h1-20H,(H,35,39)(H,36,40)

InChIKey

SRJJTSZOWCGMOQ-UHFFFAOYSA-N

Compound name

1-N,4-N-bis[4-(1,3-benzoxazol-2-yl)phenyl]benzene-1,4-dicarboxamide

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]+	551.17138	226.2
[M+Na]+	573.15332	233.3
[M-H]-	549.15682	243.5
[M+NH4]+	568.19792	228.6
[M+K]+	589.12726	228.8
[M+H-H2O]+	533.16136	214.4
[M+HCOO]-	595.16230	246.4
[M+CH3COO]-	609.17795	234.1
[M+Na-2H]-	571.13877	228.3
[M]+	550.16355	231.0
[M]-	550.16465	231.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

551.17138

226.2

[M+Na]+

573.15332

233.3

[M-H]-

549.15682

243.5

[M+NH4]+

568.19792

228.6

[M+K]+

589.12726

228.8

[M+H-H2O]+

533.16136

214.4

[M+HCOO]-

595.16230

246.4

[M+CH3COO]-

609.17795

234.1

[M+Na-2H]-

571.13877

228.3

[M]+

550.16355

231.0

[M]-

550.16465

231.0

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

N1,n4-bis[4-(1,3-benzoxazol-2-yl)phenyl]terephthalamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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