CID 58387658

Schembl10446286

Structural Information

Molecular Formula
C17H14BrClN2O2
SMILES
CC(C)C1=NC2=C(C=CC(=C2Br)O)C(=O)N1C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H14BrClN2O2/c1-9(2)16-20-15-12(7-8-13(22)14(15)18)17(23)21(16)11-5-3-10(19)4-6-11/h3-9,22H,1-2H3
InChIKey
RGGBBKIVAZMLNK-UHFFFAOYSA-N
Compound name
8-bromo-3-(4-chlorophenyl)-7-hydroxy-2-propan-2-ylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

391.9927 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.99998 177.5
[M+Na]+ 414.98192 191.9
[M-H]- 390.98542 184.6
[M+NH4]+ 410.02652 192.1
[M+K]+ 430.95586 177.7
[M+H-H2O]+ 374.98996 176.0
[M+HCOO]- 436.99090 189.2
[M+CH3COO]- 451.00655 190.3
[M+Na-2H]- 412.96737 181.8
[M]+ 391.99215 199.9
[M]- 391.99325 199.9
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

patents stripe