CID 136509975

112447-00-4

Structural Information

Molecular Formula

C₁₂H₁₁N₃O₂

SMILES

CC1=C2C(=O)C3=C(C=CC(=C3)OC)NC2=NN1

InChI

InChI=1S/C12H11N3O2/c1-6-10-11(16)8-5-7(17-2)3-4-9(8)13-12(10)15-14-6/h3-5H,1-2H3,(H2,13,14,15,16)

InChIKey

ODJKXEJBMRAERV-UHFFFAOYSA-N

Compound name

6-methoxy-3-methyl-2,9-dihydropyrazolo[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: 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]+	230.092406	149.3
[M+Na]+	252.074348	162.2
[M-H]-	228.077854	149.7
[M+NH4]+	247.118953	166.6
[M+K]+	268.048288	156.1
[M+H-H2O]+	212.082390	142.0
[M+HCOO]-	274.083331	168.3
[M+CH3COO]-	288.098981	162.0
[M+Na-2H]-	250.059796	156.3
[M]+	229.08458142	151.7
[M]-	229.08567858	151.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe