CID 3793309

Nsc671425

Structural Information

Molecular Formula

C₂₀H₁₅N₅O₂

SMILES

C1=CC=C(C=C1)NC2=NC3=C(C=C(C=C3)[N+](=O)[O-])N=C2NC4=CC=CC=C4

InChI

InChI=1S/C20H15N5O2/c26-25(27)16-11-12-17-18(13-16)24-20(22-15-9-5-2-6-10-15)19(23-17)21-14-7-3-1-4-8-14/h1-13H,(H,21,23)(H,22,24)

InChIKey

RPNCMLPRXMCLPW-UHFFFAOYSA-N

Compound name

6-nitro-2-N,3-N-diphenylquinoxaline-2,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 1
Patents: 357.1226 Da
Monoisotopic Mass: 4.8
XlogP (predicted)

Profile

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]+	358.12988	177.5
[M+Na]+	380.11182	182.4
[M-H]-	356.11532	185.2
[M+NH4]+	375.15642	185.8
[M+K]+	396.08576	171.9
[M+H-H2O]+	340.11986	169.8
[M+HCOO]-	402.12080	200.7
[M+CH3COO]-	416.13645	214.0
[M+Na-2H]-	378.09727	189.2
[M]+	357.12205	174.0
[M]-	357.12315	174.0

Literature stripe

literature stripe

Patent stripe

patents stripe