CID 13762604

112447-09-3

Structural Information

Molecular Formula

C₁₂H₁₁N₃O₂

SMILES

CC1=C2C(=O)C3=C(C=CC(=C3)O)N(C2=NN1)C

InChI

InChI=1S/C12H11N3O2/c1-6-10-11(17)8-5-7(16)3-4-9(8)15(2)12(10)14-13-6/h3-5,16H,1-2H3,(H,13,14)

InChIKey

UNEYISBAHRHGHT-UHFFFAOYSA-N

Compound name

6-hydroxy-3,9-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 229.08513 Da
Monoisotopic Mass: 1.8
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]+	230.092406	149.9
[M+Na]+	252.074348	163.7
[M-H]-	228.077854	150.7
[M+NH4]+	247.118953	167.5
[M+K]+	268.048288	157.7
[M+H-H2O]+	212.082390	143.0
[M+HCOO]-	274.083331	168.8
[M+CH3COO]-	288.098981	162.9
[M+Na-2H]-	250.059796	156.2
[M]+	229.08458142	152.7
[M]-	229.08567858	152.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe