CID 63407

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

Structural Information

Molecular Formula
C22H25N3O3
SMILES
CC1=CC=C(C=C1)N2CN(C3=CC=CC=C3C2=O)C(=O)CCN4CCOCC4
InChI
InChI=1S/C22H25N3O3/c1-17-6-8-18(9-7-17)24-16-25(20-5-3-2-4-19(20)22(24)27)21(26)10-11-23-12-14-28-15-13-23/h2-9H,10-16H2,1H3
InChIKey
GXQFTUHASQCZDP-UHFFFAOYSA-N
Compound name
3-(4-methylphenyl)-1-(3-morpholin-4-ylpropanoyl)-2H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.1896 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.196876 194.9
[M+Na]+ 402.178818 199.2
[M-H]- 378.182324 200.3
[M+NH4]+ 397.223423 201.1
[M+K]+ 418.152758 194.5
[M+H-H2O]+ 362.186860 182.0
[M+HCOO]- 424.187801 204.9
[M+CH3COO]- 438.203451 201.8
[M+Na-2H]- 400.164266 195.3
[M]+ 379.18905142 191.0
[M]- 379.19014858 191.0
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.