CID 63411

4(1h)-quinazolinone, 2,3-dihydro-1-(piperidinoacetyl)-3-(p-tolyl)-, hydrochloride

Structural Information

Molecular Formula

C₂₂H₂₅N₃O₂

SMILES

CC1=CC=C(C=C1)N2CN(C3=CC=CC=C3C2=O)C(=O)CN4CCCCC4

InChI

InChI=1S/C22H25N3O2/c1-17-9-11-18(12-10-17)24-16-25(20-8-4-3-7-19(20)22(24)27)21(26)15-23-13-5-2-6-14-23/h3-4,7-12H,2,5-6,13-16H2,1H3

InChIKey

ITXXAFRIOQFRKR-UHFFFAOYSA-N

Compound name

3-(4-methylphenyl)-1-(2-piperidin-1-ylacetyl)-2H-quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 363.19467 Da
Monoisotopic Mass: 3.4
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]+	364.201946	191.3
[M+Na]+	386.183888	195.5
[M-H]-	362.187394	196.0
[M+NH4]+	381.228493	199.5
[M+K]+	402.157828	189.1
[M+H-H2O]+	346.191930	178.6
[M+HCOO]-	408.192871	202.1
[M+CH3COO]-	422.208521	198.3
[M+Na-2H]-	384.169336	191.2
[M]+	363.19412142	185.4
[M]-	363.19521858	185.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.