CID 165656610

2751701-96-7

Structural Information

Molecular Formula

C₁₀H₁₃BrN₂O₃

SMILES

CCOC(=O)CC1=C2COCCN2C(=N1)Br

InChI

InChI=1S/C10H13BrN2O3/c1-2-16-9(14)5-7-8-6-15-4-3-13(8)10(11)12-7/h2-6H2,1H3

InChIKey

ZTLPBUBUUNMPDO-UHFFFAOYSA-N

Compound name

ethyl 2-(3-bromo-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-1-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 288.01096 Da
Monoisotopic Mass: 0.6
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]+	289.018236	156.7
[M+Na]+	311.000178	167.7
[M-H]-	287.003684	161.6
[M+NH4]+	306.044783	175.1
[M+K]+	326.974118	159.0
[M+H-H2O]+	271.008220	155.9
[M+HCOO]-	333.009161	172.8
[M+CH3COO]-	347.024811	195.2
[M+Na-2H]-	308.985626	161.9
[M]+	288.01041142	177.4
[M]-	288.01150858	177.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.