CID 63369

B 207

Structural Information

Molecular Formula

C₁₆H₁₃BrN₂O

SMILES

CC1=C(C=CC=C1Br)N2C(=NC3=CC=CC=C3C2=O)C

InChI

InChI=1S/C16H13BrN2O/c1-10-13(17)7-5-9-15(10)19-11(2)18-14-8-4-3-6-12(14)16(19)20/h3-9H,1-2H3

InChIKey

UQHPSFQWUOUGMY-UHFFFAOYSA-N

Compound name

3-(3-bromo-2-methylphenyl)-2-methylquinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 328.02112 Da
Monoisotopic Mass: 3.2
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]+	329.02840	164.3
[M+Na]+	351.01034	172.4
[M+NH4]+	346.05494	169.5
[M+K]+	366.98428	169.9
[M-H]-	327.01384	167.4
[M+Na-2H]-	348.99579	170.4
[M]+	328.02057	165.5
[M]-	328.02167	165.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe