CID 63405

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

Structural Information

Molecular Formula
C20H20ClN3O3
SMILES
C1COCCN1CC(=O)N2CN(C(=O)C3=CC=CC=C32)C4=CC(=CC=C4)Cl
InChI
InChI=1S/C20H20ClN3O3/c21-15-4-3-5-16(12-15)23-14-24(18-7-2-1-6-17(18)20(23)26)19(25)13-22-8-10-27-11-9-22/h1-7,12H,8-11,13-14H2
InChIKey
WKYBRDRXUXGJCA-UHFFFAOYSA-N
Compound name
3-(3-chlorophenyl)-1-(2-morpholin-4-ylacetyl)-2H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.11932 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.12660 191.8
[M+Na]+ 408.10854 197.6
[M-H]- 384.11204 197.2
[M+NH4]+ 403.15314 198.6
[M+K]+ 424.08248 192.2
[M+H-H2O]+ 368.11658 179.5
[M+HCOO]- 430.11752 197.9
[M+CH3COO]- 444.13317 199.1
[M+Na-2H]- 406.09399 192.7
[M]+ 385.11877 189.5
[M]- 385.11987 189.5
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.