CID 63925

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

Structural Information

Molecular Formula
C17H14BrClN2O2
SMILES
C1N(C(=O)C2=CC=CC=C2N1C(=O)CCCl)C3=CC=C(C=C3)Br
InChI
InChI=1S/C17H14BrClN2O2/c18-12-5-7-13(8-6-12)20-11-21(16(22)9-10-19)15-4-2-1-3-14(15)17(20)23/h1-8H,9-11H2
InChIKey
IKRGBISAUYHMBU-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)-1-(3-chloropropanoyl)-2H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.9927 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.99998 178.8
[M+Na]+ 414.98192 190.6
[M-H]- 390.98542 185.8
[M+NH4]+ 410.02652 193.4
[M+K]+ 430.95586 176.7
[M+H-H2O]+ 374.98996 176.8
[M+HCOO]- 436.99090 189.5
[M+CH3COO]- 451.00655 190.7
[M+Na-2H]- 412.96737 183.0
[M]+ 391.99215 198.8
[M]- 391.99325 198.8
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.