PubChemLite - Einecs 256-866-7 (C24H21N7O5)

Structural Information

Molecular Formula

SMILES

CCN(CC1=CC=CC=C1)C2=CC(=C(C=C2)N=NC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])C#N)NC(=O)C

InChI

InChI=1S/C24H21N7O5/c1-3-29(15-17-7-5-4-6-8-17)19-9-10-21(22(12-19)26-16(2)32)27-28-24-18(14-25)11-20(30(33)34)13-23(24)31(35)36/h4-13H,3,15H2,1-2H3,(H,26,32)

InChIKey

HLEPAQNRQXSUEC-UHFFFAOYSA-N

Compound name

N-[5-[benzyl(ethyl)amino]-2-[(2-cyano-4,6-dinitrophenyl)diazenyl]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]+	488.16771	229.0
[M+Na]+	510.14965	230.8
[M-H]-	486.15315	237.1
[M+NH4]+	505.19425	232.0
[M+K]+	526.12359	220.2
[M+H-H2O]+	470.15769	217.5
[M+HCOO]-	532.15863	251.8
[M+CH3COO]-	546.17428	249.4
[M+Na-2H]-	508.13510	231.5
[M]+	487.15988	221.9
[M]-	487.16098	221.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

488.16771

229.0

[M+Na]+

510.14965

230.8

[M-H]-

486.15315

237.1

[M+NH4]+

505.19425

232.0

[M+K]+

526.12359

220.2

[M+H-H2O]+

470.15769

217.5

[M+HCOO]-

532.15863

251.8

[M+CH3COO]-

546.17428

249.4

[M+Na-2H]-

508.13510

231.5

[M]+

487.15988

221.9

[M]-

487.16098

221.9

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

Einecs 256-866-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe