CID 49758108

1242260-89-4

Structural Information

Molecular Formula

C₁₂H₁₁BrN₂O₂

SMILES

CCOC(=O)C1=CN=C2C(=C1N)C=CC=C2Br

InChI

InChI=1S/C12H11BrN2O2/c1-2-17-12(16)8-6-15-11-7(10(8)14)4-3-5-9(11)13/h3-6H,2H2,1H3,(H2,14,15)

InChIKey

UVCACASLBBNWKP-UHFFFAOYSA-N

Compound name

ethyl 4-amino-8-bromoquinoline-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 294.0004 Da
Monoisotopic Mass: 3.0
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]+	295.00768	155.1
[M+Na]+	316.98962	158.8
[M+NH4]+	312.03422	159.4
[M+K]+	332.96356	158.8
[M-H]-	292.99312	155.9
[M+Na-2H]-	314.97507	158.0
[M]+	293.99985	154.6
[M]-	294.00095	154.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe