PubChemLite - Einecs 265-978-5 (C24H27N7O5)

Structural Information

Molecular Formula

SMILES

CCN(CCOCCOCC)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2C#N)[N+](=O)[O-])C#N)NC(=O)C

InChI

InChI=1S/C24H27N7O5/c1-4-30(8-9-36-11-10-35-5-2)20-6-7-22(23(14-20)27-17(3)32)28-29-24-18(15-25)12-21(31(33)34)13-19(24)16-26/h6-7,12-14H,4-5,8-11H2,1-3H3,(H,27,32)

InChIKey

AKJJWOKXRZZDHV-UHFFFAOYSA-N

Compound name

N-[2-[(2,6-dicyano-4-nitrophenyl)diazenyl]-5-[2-(2-ethoxyethoxy)ethyl-ethylamino]phenyl]acetamide

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]+	494.21465	218.8
[M+Na]+	516.19659	223.0
[M-H]-	492.20009	223.5
[M+NH4]+	511.24119	222.1
[M+K]+	532.17053	218.5
[M+H-H2O]+	476.20463	202.3
[M+HCOO]-	538.20557	233.2
[M+CH3COO]-	552.22122	259.9
[M+Na-2H]-	514.18204	216.6
[M]+	493.20682	213.3
[M]-	493.20792	213.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

494.21465

218.8

[M+Na]+

516.19659

223.0

[M-H]-

492.20009

223.5

[M+NH4]+

511.24119

222.1

[M+K]+

532.17053

218.5

[M+H-H2O]+

476.20463

202.3

[M+HCOO]-

538.20557

233.2

[M+CH3COO]-

552.22122

259.9

[M+Na-2H]-

514.18204

216.6

[M]+

493.20682

213.3

[M]-

493.20792

213.3

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

Einecs 265-978-5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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