CID 3074773

161373-42-8

Structural Information

Molecular Formula

C₁₁H₁₁N₃O₂

SMILES

CC1=CC2=C(C=C1C)N=NC(=C2N)C(=O)O

InChI

InChI=1S/C11H11N3O2/c1-5-3-7-8(4-6(5)2)13-14-10(9(7)12)11(15)16/h3-4H,1-2H3,(H2,12,13)(H,15,16)

InChIKey

QVHURDLSHVYKIZ-UHFFFAOYSA-N

Compound name

4-amino-6,7-dimethylcinnoline-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 217.08513 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]+	218.09241	147.0
[M+Na]+	240.07435	160.2
[M+NH4]+	235.11895	153.9
[M+K]+	256.04829	155.1
[M-H]-	216.07785	148.1
[M+Na-2H]-	238.05980	152.1
[M]+	217.08458	149.0
[M]-	217.08568	149.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.