CID 6489

Butanamide, n-((acetylamino)carbonyl)-2-bromo-2-ethyl-

Structural Information

Molecular Formula
C9H15BrN2O3
SMILES
CCC(CC)(C(=O)NC(=O)NC(=O)C)Br
InChI
InChI=1S/C9H15BrN2O3/c1-4-9(10,5-2)7(14)12-8(15)11-6(3)13/h4-5H2,1-3H3,(H2,11,12,13,14,15)
InChIKey
SAZUGELZHZOXHB-UHFFFAOYSA-N
Compound name
N-(acetylcarbamoyl)-2-bromo-2-ethylbutanamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

3
References

19732
Patents

278.0266 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.03388 155.9
[M+Na]+ 301.01582 164.0
[M-H]- 277.01932 158.5
[M+NH4]+ 296.06042 174.7
[M+K]+ 316.98976 153.8
[M+H-H2O]+ 261.02386 154.6
[M+HCOO]- 323.02480 174.8
[M+CH3COO]- 337.04045 198.9
[M+Na-2H]- 299.00127 159.7
[M]+ 278.02605 174.0
[M]- 278.02715 174.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe