CID 2804414

Maybridge4_000696

Structural Information

Molecular Formula

C₁₃H₁₄N₄O₂

SMILES

C1CCN(C1)C(=O)C2=NC3=CC=CC=C3C(=O)N2N

InChI

InChI=1S/C13H14N4O2/c14-17-11(13(19)16-7-3-4-8-16)15-10-6-2-1-5-9(10)12(17)18/h1-2,5-6H,3-4,7-8,14H2

InChIKey

DGNVTUWXQDITHZ-UHFFFAOYSA-N

Compound name

3-amino-2-(pyrrolidine-1-carbonyl)quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 0
Patents: 258.11166 Da
Monoisotopic Mass: 1.1
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]+	259.118936	157.6
[M+Na]+	281.100878	166.0
[M-H]-	257.104384	161.1
[M+NH4]+	276.145483	172.5
[M+K]+	297.074818	161.6
[M+H-H2O]+	241.108920	148.4
[M+HCOO]-	303.109861	176.2
[M+CH3COO]-	317.125511	168.7
[M+Na-2H]-	279.086326	160.7
[M]+	258.11111142	154.9
[M]-	258.11220858	154.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.