CID 11559627

903499-49-0

Structural Information

Molecular Formula

C₂₁H₂₄N₄O₂

SMILES

CCOC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)CN4CCNCC4

InChI

InChI=1S/C21H24N4O2/c1-2-27-19-10-6-5-9-18(19)25-20(15-24-13-11-22-12-14-24)23-17-8-4-3-7-16(17)21(25)26/h3-10,22H,2,11-15H2,1H3

InChIKey

OBWOSMGNXYUDFB-UHFFFAOYSA-N

Compound name

3-(2-ethoxyphenyl)-2-(piperazin-1-ylmethyl)quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 52
Patents: 364.1899 Da
Monoisotopic Mass: 2.2
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]+	365.19718	191.4
[M+Na]+	387.17912	197.6
[M-H]-	363.18262	194.1
[M+NH4]+	382.22372	197.7
[M+K]+	403.15306	189.8
[M+H-H2O]+	347.18716	178.2
[M+HCOO]-	409.18810	203.2
[M+CH3COO]-	423.20375	198.3
[M+Na-2H]-	385.16457	194.6
[M]+	364.18935	188.0
[M]-	364.19045	188.0

Literature stripe

literature stripe

Patent stripe

patents stripe