CID 3087660

Brn 4813547

Structural Information

Molecular Formula

C₁₂H₁₀N₄O₂

SMILES

CN1C2=C(C=N1)C(=O)OC(=N2)C3=CC=CC=C3N

InChI

InChI=1S/C12H10N4O2/c1-16-10-8(6-14-16)12(17)18-11(15-10)7-4-2-3-5-9(7)13/h2-6H,13H2,1H3

InChIKey

FABSUUOLNUKNBK-UHFFFAOYSA-N

Compound name

6-(2-aminophenyl)-1-methylpyrazolo[5,4-d][1,3]oxazin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 242.08037 Da
Monoisotopic Mass: 0.9
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]+	243.087646	152.0
[M+Na]+	265.069588	165.1
[M-H]-	241.073094	157.8
[M+NH4]+	260.114193	167.0
[M+K]+	281.043528	161.2
[M+H-H2O]+	225.077630	143.2
[M+HCOO]-	287.078571	175.1
[M+CH3COO]-	301.094221	165.7
[M+Na-2H]-	263.055036	159.3
[M]+	242.07982142	155.6
[M]-	242.08091858	155.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.