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]+	593.141576	232.8
[M+Na]+	615.123518	225.2
[M-H]-	591.127024	244.3
[M+NH4]+	610.168123	228.1
[M+K]+	631.097458	209.1
[M+H-H2O]+	575.131560	231.3
[M+HCOO]-	637.132501	252.4
[M+CH3COO]-	651.148151	242.5
[M+Na-2H]-	613.108966	240.2
[M]+	592.13375142	224.0
[M]-	592.13484858	224.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

593.141576

232.8

[M+Na]+

615.123518

225.2

[M-H]-

591.127024

244.3

[M+NH4]+

610.168123

228.1

[M+K]+

631.097458

209.1

[M+H-H2O]+

575.131560

231.3

[M+HCOO]-

637.132501

252.4

[M+CH3COO]-

651.148151

242.5

[M+Na-2H]-

613.108966

240.2

[M]+

592.13375142

224.0

[M]-

592.13484858

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

Patent stripe