CID 3050063

Brn 0892638

Structural Information

Molecular Formula

C₁₃H₁₁N₃O₃

SMILES

CCN1C=C(C(=O)C2=C1C=CC3=C2NN=C3)C(=O)O

InChI

InChI=1S/C13H11N3O3/c1-2-16-6-8(13(18)19)12(17)10-9(16)4-3-7-5-14-15-11(7)10/h3-6H,2H2,1H3,(H,14,15)(H,18,19)

InChIKey

BQMQDINADYDOCK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 257.08005 Da
Monoisotopic Mass: 2.0
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]+	258.087326	155.7
[M+Na]+	280.069268	167.9
[M-H]-	256.072774	156.1
[M+NH4]+	275.113873	171.6
[M+K]+	296.043208	162.3
[M+H-H2O]+	240.077310	148.4
[M+HCOO]-	302.078251	173.7
[M+CH3COO]-	316.093901	167.7
[M+Na-2H]-	278.054716	161.3
[M]+	257.07950142	158.6
[M]-	257.08059858	158.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe