CID 204464

Brn 0887467

Structural Information

Molecular Formula

C₁₁H₁₂N₄O₂

SMILES

CC1=NC2=CC=CC=C2C(=O)N1CC(=O)NN

InChI

InChI=1S/C11H12N4O2/c1-7-13-9-5-3-2-4-8(9)11(17)15(7)6-10(16)14-12/h2-5H,6,12H2,1H3,(H,14,16)

InChIKey

WOTFHVIHWRJSSA-UHFFFAOYSA-N

Compound name

2-(2-methyl-4-oxoquinazolin-3-yl)acetohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 232.09602 Da
Monoisotopic Mass: -0.5
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]+	233.10330	149.8
[M+Na]+	255.08524	159.2
[M-H]-	231.08874	152.0
[M+NH4]+	250.12984	165.7
[M+K]+	271.05918	155.6
[M+H-H2O]+	215.09328	141.8
[M+HCOO]-	277.09422	172.2
[M+CH3COO]-	291.10987	195.9
[M+Na-2H]-	253.07069	156.9
[M]+	232.09547	149.8
[M]-	232.09657	149.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.