CID 131308005

2090595-55-2

Structural Information

Molecular Formula

C₁₀H₇BrN₂O₂

SMILES

COC(=O)C1=NC=C2C=CC(=CC2=N1)Br

InChI

InChI=1S/C10H7BrN2O2/c1-15-10(14)9-12-5-6-2-3-7(11)4-8(6)13-9/h2-5H,1H3

InChIKey

HAANLMGMLRWXAM-UHFFFAOYSA-N

Compound name

methyl 7-bromoquinazoline-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 265.9691 Da
Monoisotopic Mass: 2.4
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]+	266.97638	145.7
[M+Na]+	288.95832	158.6
[M-H]-	264.96182	150.7
[M+NH4]+	284.00292	164.6
[M+K]+	304.93226	148.0
[M+H-H2O]+	248.96636	144.8
[M+HCOO]-	310.96730	164.5
[M+CH3COO]-	324.98295	192.6
[M+Na-2H]-	286.94377	155.1
[M]+	265.96855	166.5
[M]-	265.96965	166.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe