CID 63377

3-(4-bromophenyl)-2-methyl-3,4-dihydroquinazolin-4-one

Structural Information

Molecular Formula

C₁₅H₁₁BrN₂O

SMILES

CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)Br

InChI

InChI=1S/C15H11BrN2O/c1-10-17-14-5-3-2-4-13(14)15(19)18(10)12-8-6-11(16)7-9-12/h2-9H,1H3

InChIKey

HNDXCNZDFXGBRU-UHFFFAOYSA-N

Compound name

3-(4-bromophenyl)-2-methylquinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 4
Patents: 314.0055 Da
Monoisotopic Mass: 2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	315.01278	161.3
[M+Na]+	336.99472	175.1
[M-H]-	312.99822	169.5
[M+NH4]+	332.03932	178.5
[M+K]+	352.96866	162.4
[M+H-H2O]+	297.00276	159.4
[M+HCOO]-	359.00370	180.4
[M+CH3COO]-	373.01935	175.6
[M+Na-2H]-	334.98017	169.9
[M]+	314.00495	181.3
[M]-	314.00605	181.3

Literature stripe

literature stripe

Patent stripe

patents stripe