CID 137321929

2-amino-5-(1-bromo-2-(4-methoxyphenyl)-2-oxoethylidene)-4(5h)-oxazolone

Structural Information

Molecular Formula
C12H9BrN2O4
SMILES
COC1=CC=C(C=C1)C(=O)/C(=C/2\C(=O)NC(=N)O2)/Br
InChI
InChI=1S/C12H9BrN2O4/c1-18-7-4-2-6(3-5-7)9(16)8(13)10-11(17)15-12(14)19-10/h2-5H,1H3,(H2,14,15,17)/b10-8-
InChIKey
OZGMDNZABCYHDH-NTMALXAHSA-N
Compound name
(5Z)-5-[1-bromo-2-(4-methoxyphenyl)-2-oxoethylidene]-2-imino-1,3-oxazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.97458 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.98186 163.8
[M+Na]+ 346.96380 173.5
[M-H]- 322.96730 171.0
[M+NH4]+ 342.00840 179.4
[M+K]+ 362.93774 162.6
[M+H-H2O]+ 306.97184 162.3
[M+HCOO]- 368.97278 181.1
[M+CH3COO]- 382.98843 201.0
[M+Na-2H]- 344.94925 165.8
[M]+ 323.97403 179.9
[M]- 323.97513 179.9
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.