CID 63133

4(1h)-quinazolinone, 2,3-dihydro-3-(m-chlorophenyl)-1-(piperidinoacetyl)-, hydrochloride

Structural Information

Molecular Formula
C21H22ClN3O2
SMILES
C1CCN(CC1)CC(=O)N2CN(C(=O)C3=CC=CC=C32)C4=CC(=CC=C4)Cl
InChI
InChI=1S/C21H22ClN3O2/c22-16-7-6-8-17(13-16)24-15-25(19-10-3-2-9-18(19)21(24)27)20(26)14-23-11-4-1-5-12-23/h2-3,6-10,13H,1,4-5,11-12,14-15H2
InChIKey
POFNTEKZQJTRPT-UHFFFAOYSA-N
Compound name
3-(3-chlorophenyl)-1-(2-piperidin-1-ylacetyl)-2H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.14005 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.14733 192.6
[M+Na]+ 406.12927 197.9
[M-H]- 382.13277 197.1
[M+NH4]+ 401.17387 200.8
[M+K]+ 422.10321 190.5
[M+H-H2O]+ 366.13731 180.2
[M+HCOO]- 428.13825 199.1
[M+CH3COO]- 442.15390 199.5
[M+Na-2H]- 404.11472 192.5
[M]+ 383.13950 188.6
[M]- 383.14060 188.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.