CID 3053394

Brn 0811410

Structural Information

Molecular Formula

C₁₃H₉N₃O₃

SMILES

C=CN1C=C(C(=O)C2=C1C=CC3=C2NN=C3)C(=O)O

InChI

InChI=1S/C13H9N3O3/c1-2-16-6-8(13(18)19)12(17)10-9(16)4-3-7-5-14-15-11(7)10/h2-6H,1H2,(H,14,15)(H,18,19)

InChIKey

MNCHQZRONIRUIM-UHFFFAOYSA-N

Compound name

6-ethenyl-9-oxo-1H-pyrazolo[5,4-f]quinoline-8-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 255.06439 Da
Monoisotopic Mass: 2.1
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]+	256.071666	154.8
[M+Na]+	278.053608	167.2
[M-H]-	254.057114	155.2
[M+NH4]+	273.098213	170.6
[M+K]+	294.027548	161.0
[M+H-H2O]+	238.061650	147.5
[M+HCOO]-	300.062591	172.9
[M+CH3COO]-	314.078241	166.8
[M+Na-2H]-	276.039056	160.3
[M]+	255.06384142	156.9
[M]-	255.06493858	156.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe