CID 41793

56223-91-7

Structural Information

Molecular Formula

C₁₂H₁₈N₄O₄

SMILES

CCN(CC)CCNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H18N4O4/c1-3-14(4-2)8-7-13-11-6-5-10(15(17)18)9-12(11)16(19)20/h5-6,9,13H,3-4,7-8H2,1-2H3

InChIKey

HGZRREOJHASMOE-UHFFFAOYSA-N

Compound name

N-(2,4-dinitrophenyl)-N',N'-diethylethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 282.1328 Da
Monoisotopic Mass: 3.0
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]+	283.140076	163.6
[M+Na]+	305.122018	166.9
[M-H]-	281.125524	167.9
[M+NH4]+	300.166623	177.2
[M+K]+	321.095958	158.1
[M+H-H2O]+	265.130060	164.6
[M+HCOO]-	327.131001	190.7
[M+CH3COO]-	341.146651	199.1
[M+Na-2H]-	303.107466	170.6
[M]+	282.13225142	162.1
[M]-	282.13334858	162.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe