CID 104739

95896-78-9

Structural Information

Molecular Formula

C₁₂H₁₃N₅

SMILES

CC1=CC2=NC=C(N=C2C3=C1N(C(=N3)N)C)C

InChI

InChI=1S/C12H13N5/c1-6-4-8-9(15-7(2)5-14-8)10-11(6)17(3)12(13)16-10/h4-5H,1-3H3,(H2,13,16)

InChIKey

LAZSIJHHPMHKQI-UHFFFAOYSA-N

Compound name

3,4,8-trimethylimidazo[4,5-f]quinoxalin-2-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 97
References: 71
Patents: 227.1171 Da
Monoisotopic Mass: 1.4
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]+	228.12438	151.1
[M+Na]+	250.10632	166.7
[M+NH4]+	245.15092	159.2
[M+K]+	266.08026	161.6
[M-H]-	226.10982	153.0
[M+Na-2H]-	248.09177	157.0
[M]+	227.11655	153.9
[M]-	227.11765	153.9

Literature stripe

literature stripe

Patent stripe

patents stripe