CID 13762598

112447-04-8

Structural Information

Molecular Formula

C₁₄H₁₅N₃O₂

SMILES

CC1=C2C(=O)C3=C(C=CC(=C3)OC)N(C2=NN1C)C

InChI

InChI=1S/C14H15N3O2/c1-8-12-13(18)10-7-9(19-4)5-6-11(10)16(2)14(12)15-17(8)3/h5-7H,1-4H3

InChIKey

KKIITVHSDBKAMI-UHFFFAOYSA-N

Compound name

6-methoxy-2,3,9-trimethylpyrazolo[3,4-b]quinolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 257.11642 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]+	258.123696	158.4
[M+Na]+	280.105638	173.0
[M-H]-	256.109144	161.8
[M+NH4]+	275.150243	176.5
[M+K]+	296.079578	168.2
[M+H-H2O]+	240.113680	150.6
[M+HCOO]-	302.114621	179.5
[M+CH3COO]-	316.130271	172.1
[M+Na-2H]-	278.091086	163.6
[M]+	257.11587142	165.8
[M]-	257.11696858	165.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe