CID 135481900

19062-52-3

Structural Information

Molecular Formula

C₁₄H₁₈N₄O

SMILES

CN1CCN(CC1)CC2=NC3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C14H18N4O/c1-17-6-8-18(9-7-17)10-13-15-12-5-3-2-4-11(12)14(19)16-13/h2-5H,6-10H2,1H3,(H,15,16,19)

InChIKey

SPXPXFQAOMQIDA-UHFFFAOYSA-N

Compound name

2-[(4-methylpiperazin-1-yl)methyl]-3H-quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 2
Patents: 258.14807 Da
Monoisotopic Mass: 0.6
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]+	259.15535	161.8
[M+Na]+	281.13729	176.2
[M+NH4]+	276.18189	168.9
[M+K]+	297.11123	168.7
[M-H]-	257.14079	164.0
[M+Na-2H]-	279.12274	168.4
[M]+	258.14752	164.3
[M]-	258.14862	164.3

Literature stripe

literature stripe

Patent stripe

patents stripe