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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.01824 156.7
[M+Na]+ 311.00018 167.7
[M-H]- 287.00368 161.6
[M+NH4]+ 306.04478 175.1
[M+K]+ 326.97412 159.0
[M+H-H2O]+ 271.00822 155.9
[M+HCOO]- 333.00916 172.8
[M+CH3COO]- 347.02481 195.2
[M+Na-2H]- 308.98563 161.9
[M]+ 288.01041 177.4
[M]- 288.01151 177.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.