CID 135417158

33017-94-6

Structural Information

Molecular Formula

C₁₃H₂₀N₄O

SMILES

CN1CCN(CC1)C2=NC3=C(CCCC3)C(=O)N2

InChI

InChI=1S/C13H20N4O/c1-16-6-8-17(9-7-16)13-14-11-5-3-2-4-10(11)12(18)15-13/h2-9H2,1H3,(H,14,15,18)

InChIKey

SQCWABLHLAOJBR-UHFFFAOYSA-N

Compound name

2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 7
Patents: 248.16371 Da
Monoisotopic Mass: 0.3
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]+	249.17099	160.4
[M+Na]+	271.15293	173.1
[M+NH4]+	266.19753	167.6
[M+K]+	287.12687	166.3
[M-H]-	247.15643	162.2
[M+Na-2H]-	269.13838	165.4
[M]+	248.16316	162.5
[M]-	248.16426	162.5

Literature stripe

literature stripe

Patent stripe

patents stripe