CID 3073012

145440-91-1

Structural Information

Molecular Formula
C13H13BrN2O2
SMILES
CC1=C(C(=C(C=C1)Br)C)NC(=O)C2=NOC(=C2)C
InChI
InChI=1S/C13H13BrN2O2/c1-7-4-5-10(14)9(3)12(7)15-13(17)11-6-8(2)18-16-11/h4-6H,1-3H3,(H,15,17)
InChIKey
UTUNHGUEGFUFDC-UHFFFAOYSA-N
Compound name
N-(3-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 164.4
[M+Na]+ 331.00527 167.9
[M+NH4]+ 326.04987 168.1
[M+K]+ 346.97921 169.7
[M-H]- 307.00877 167.0
[M+Na-2H]- 328.99072 167.1
[M]+ 308.01550 164.4
[M]- 308.01660 164.4
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.