CID 105206

65776-63-8

Structural Information

Molecular Formula

C₁₂H₁₆N₄

SMILES

CCNC1=NC2=CC=CC=C2N=C1NCC

InChI

InChI=1S/C12H16N4/c1-3-13-11-12(14-4-2)16-10-8-6-5-7-9(10)15-11/h5-8H,3-4H2,1-2H3,(H,13,15)(H,14,16)

InChIKey

UYTGGRJPWFSBEV-UHFFFAOYSA-N

Compound name

2-N,3-N-diethylquinoxaline-2,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 216.1375 Da
Monoisotopic Mass: 2.6
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]+	217.14478	148.3
[M+Na]+	239.12672	156.1
[M-H]-	215.13022	150.2
[M+NH4]+	234.17132	165.0
[M+K]+	255.10066	152.1
[M+H-H2O]+	199.13476	139.9
[M+HCOO]-	261.13570	171.2
[M+CH3COO]-	275.15135	195.2
[M+Na-2H]-	237.11217	157.8
[M]+	216.13695	148.5
[M]-	216.13805	148.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe