CID 220720

1157-84-2

Structural Information

Molecular Formula

C₁₃H₁₀N₄O₄

SMILES

C1=CC=C(C=C1)C=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H10N4O4/c18-16(19)11-6-7-12(13(8-11)17(20)21)15-14-9-10-4-2-1-3-5-10/h1-9,15H

InChIKey

DZPRPFUXOZTWAJ-UHFFFAOYSA-N

Compound name

N-(benzylideneamino)-2,4-dinitroaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 9
Patents: 286.0702 Da
Monoisotopic Mass: 2.5
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]+	287.07748	164.5
[M+Na]+	309.05942	177.9
[M+NH4]+	304.10402	171.6
[M+K]+	325.03336	176.0
[M-H]-	285.06292	172.0
[M+Na-2H]-	307.04487	172.7
[M]+	286.06965	168.2
[M]-	286.07075	168.2

Literature stripe

literature stripe

Patent stripe

patents stripe