CID 439016

Nsc697713

Structural Information

Molecular Formula

C₁₁H₁₁N₅

SMILES

CC1=CC2=NC3=C(NN=C3N=C2C=C1C)N

InChI

InChI=1S/C11H11N5/c1-5-3-7-8(4-6(5)2)14-11-9(13-7)10(12)15-16-11/h3-4H,1-2H3,(H3,12,14,15,16)

InChIKey

BMQPRCMBRYZQBH-UHFFFAOYSA-N

Compound name

6,7-dimethyl-2H-pyrazolo[4,3-b]quinoxalin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 213.10144 Da
Monoisotopic Mass: 1.6
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]+	214.10872	148.2
[M+Na]+	236.09066	161.3
[M-H]-	212.09416	148.3
[M+NH4]+	231.13526	165.2
[M+K]+	252.06460	155.1
[M+H-H2O]+	196.09870	140.1
[M+HCOO]-	258.09964	167.6
[M+CH3COO]-	272.11529	160.7
[M+Na-2H]-	234.07611	155.7
[M]+	213.10089	149.0
[M]-	213.10199	149.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.