CID 3076192

Brn 5819072

Structural Information

Molecular Formula
C13H13BrN2O2
SMILES
CC1=CC(=CC(=C1NC(=O)C2=NOC(=C2)C)C)Br
InChI
InChI=1S/C13H13BrN2O2/c1-7-4-10(14)5-8(2)12(7)15-13(17)11-6-9(3)18-16-11/h4-6H,1-3H3,(H,15,17)
InChIKey
DZFHDQBWOIGBIQ-UHFFFAOYSA-N
Compound name
N-(4-bromo-2,6-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.01605 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.02333 163.0
[M+Na]+ 331.00527 175.4
[M-H]- 307.00877 172.4
[M+NH4]+ 326.04987 181.0
[M+K]+ 346.97921 165.0
[M+H-H2O]+ 291.01331 161.5
[M+HCOO]- 353.01425 184.3
[M+CH3COO]- 367.02990 203.6
[M+Na-2H]- 328.99072 167.0
[M]+ 308.01550 184.3
[M]- 308.01660 184.3
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.