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]+ 380.19688 193.7
[M+Na]+ 402.17882 207.7
[M+NH4]+ 397.22342 200.1
[M+K]+ 418.15276 200.2
[M-H]- 378.18232 199.4
[M+Na-2H]- 400.16427 199.5
[M]+ 379.18905 197.2
[M]- 379.19015 197.2
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.