CID 63296

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

Structural Information

Molecular Formula
C21H22BrN3O3
SMILES
C1COCCN1CCC(=O)N2CN(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)Br
InChI
InChI=1S/C21H22BrN3O3/c22-16-5-7-17(8-6-16)24-15-25(19-4-2-1-3-18(19)21(24)27)20(26)9-10-23-11-13-28-14-12-23/h1-8H,9-15H2
InChIKey
KWKKOLAGBKAPBR-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)-1-(3-morpholin-4-ylpropanoyl)-2H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.08444 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.09172 199.2
[M+Na]+ 466.07366 206.0
[M-H]- 442.07716 206.9
[M+NH4]+ 461.11826 207.1
[M+K]+ 482.04760 194.8
[M+H-H2O]+ 426.08170 194.3
[M+HCOO]- 488.08264 207.8
[M+CH3COO]- 502.09829 207.7
[M+Na-2H]- 464.05911 201.0
[M]+ 443.08389 213.8
[M]- 443.08499 213.8
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.