CID 172305

Molinazone

Structural Information

Molecular Formula

C₁₁H₁₂N₄O₂

SMILES

C1COCCN1N2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C11H12N4O2/c16-11-9-3-1-2-4-10(9)12-13-15(11)14-5-7-17-8-6-14/h1-4H,5-8H2

InChIKey

MSBSMNOJAAJSGG-UHFFFAOYSA-N

Compound name

3-morpholin-4-yl-1,2,3-benzotriazin-4-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 572
Patents: 232.09602 Da
Monoisotopic Mass: 0.7
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]+	233.103296	151.7
[M+Na]+	255.085238	160.2
[M-H]-	231.088744	154.0
[M+NH4]+	250.129843	163.2
[M+K]+	271.059178	157.1
[M+H-H2O]+	215.093280	140.8
[M+HCOO]-	277.094221	166.6
[M+CH3COO]-	291.109871	162.5
[M+Na-2H]-	253.070686	160.1
[M]+	232.09547142	149.5
[M]-	232.09656858	149.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe