PubChemLite - Nsc641424 (C25H14N4O7)

Structural Information

Molecular Formula

SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C4=C(C=C3)NC(=O)C(=N4)CC(=O)C(=O)NC5=CC=CC=C5[N+](=O)[O-]

InChI

InChI=1S/C25H14N4O7/c30-19(25(34)27-15-7-3-4-8-18(15)29(35)36)11-17-24(33)28-16-10-9-14-20(21(16)26-17)23(32)13-6-2-1-5-12(13)22(14)31/h1-10H,11H2,(H,27,34)(H,28,33)

InChIKey

JLBSZAPOFLSMGO-UHFFFAOYSA-N

Compound name

N-(2-nitrophenyl)-2-oxo-3-(3,7,12-trioxo-4H-naphtho[2,3-h]quinoxalin-2-yl)propanamide

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]+	483.09352	205.4
[M+Na]+	505.07546	210.3
[M-H]-	481.07896	210.6
[M+NH4]+	500.12006	209.5
[M+K]+	521.04940	201.1
[M+H-H2O]+	465.08350	197.7
[M+HCOO]-	527.08444	219.6
[M+CH3COO]-	541.10009	235.2
[M+Na-2H]-	503.06091	212.6
[M]+	482.08569	204.3
[M]-	482.08679	204.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

483.09352

205.4

[M+Na]+

505.07546

210.3

[M-H]-

481.07896

210.6

[M+NH4]+

500.12006

209.5

[M+K]+

521.04940

201.1

[M+H-H2O]+

465.08350

197.7

[M+HCOO]-

527.08444

219.6

[M+CH3COO]-

541.10009

235.2

[M+Na-2H]-

503.06091

212.6

[M]+

482.08569

204.3

[M]-

482.08679

204.3

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

Nsc641424

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe