CID 206125

Brn 1161250

Structural Information

Molecular Formula
C12H13BrN2O5
SMILES
COC1=C(C=C(C=C1)N2CC(OC2=O)COC(=O)N)Br
InChI
InChI=1S/C12H13BrN2O5/c1-18-10-3-2-7(4-9(10)13)15-5-8(20-12(15)17)6-19-11(14)16/h2-4,8H,5-6H2,1H3,(H2,14,16)
InChIKey
XUECSKUHXUFDSC-UHFFFAOYSA-N
Compound name
[3-(3-bromo-4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.0008 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.00808 167.6
[M+Na]+ 366.99002 178.0
[M-H]- 342.99352 175.8
[M+NH4]+ 362.03462 183.3
[M+K]+ 382.96396 168.9
[M+H-H2O]+ 326.99806 165.6
[M+HCOO]- 388.99900 186.4
[M+CH3COO]- 403.01465 206.5
[M+Na-2H]- 364.97547 169.7
[M]+ 344.00025 188.1
[M]- 344.00135 188.1
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.