CID 5743651

77093-96-0

Structural Information

Molecular Formula

C₁₀H₉BrN₂O₂

SMILES

C1=CC=C2C(=C1)C(=O)N(C(=O)N2)CCBr

InChI

InChI=1S/C10H9BrN2O2/c11-5-6-13-9(14)7-3-1-2-4-8(7)12-10(13)15/h1-4H,5-6H2,(H,12,15)

InChIKey

HDTBGSPQYIYDES-UHFFFAOYSA-N

Compound name

3-(2-bromoethyl)-1H-quinazoline-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 267.98474 Da
Monoisotopic Mass: 1.4
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]+	268.992016	145.2
[M+Na]+	290.973958	159.0
[M-H]-	266.977464	149.2
[M+NH4]+	286.018563	163.7
[M+K]+	306.947898	146.4
[M+H-H2O]+	250.982000	144.6
[M+HCOO]-	312.982941	163.7
[M+CH3COO]-	326.998591	190.6
[M+Na-2H]-	288.959406	154.5
[M]+	267.98419142	164.7
[M]-	267.98528858	164.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe