PubChemLite - 3283-05-4 (C30H20N6O8)

Structural Information

Molecular Formula

SMILES

C1=CC(=CC=C1N(C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-])N(C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C30H20N6O8/c37-33(38)27-13-5-23(6-14-27)31(24-7-15-28(16-8-24)34(39)40)21-1-2-22(4-3-21)32(25-9-17-29(18-10-25)35(41)42)26-11-19-30(20-12-26)36(43)44/h1-20H

InChIKey

XEUNCVYZWDLKKR-UHFFFAOYSA-N

Compound name

1-N,1-N,4-N,4-N-tetrakis(4-nitrophenyl)benzene-1,4-diamine

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]+	593.14158	232.8
[M+Na]+	615.12352	225.2
[M-H]-	591.12702	244.3
[M+NH4]+	610.16812	228.1
[M+K]+	631.09746	209.1
[M+H-H2O]+	575.13156	231.3
[M+HCOO]-	637.13250	252.4
[M+CH3COO]-	651.14815	242.5
[M+Na-2H]-	613.10897	240.2
[M]+	592.13375	224.0
[M]-	592.13485	224.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

593.14158

232.8

[M+Na]+

615.12352

225.2

[M-H]-

591.12702

244.3

[M+NH4]+

610.16812

228.1

[M+K]+

631.09746

209.1

[M+H-H2O]+

575.13156

231.3

[M+HCOO]-

637.13250

252.4

[M+CH3COO]-

651.14815

242.5

[M+Na-2H]-

613.10897

240.2

[M]+

592.13375

224.0

[M]-

592.13485

224.0

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

3283-05-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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