CID 50292

Brn 2852783

Structural Information

Molecular Formula
C12H15BrN2O2
SMILES
CC(=O)NC1=C(C=C(C=C1)CCCC(=O)N)Br
InChI
InChI=1S/C12H15BrN2O2/c1-8(16)15-11-6-5-9(7-10(11)13)3-2-4-12(14)17/h5-7H,2-4H2,1H3,(H2,14,17)(H,15,16)
InChIKey
NAYFUBCUYFHAHJ-UHFFFAOYSA-N
Compound name
4-(4-acetamido-3-bromophenyl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.03168 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.038956 160.5
[M+Na]+ 321.020898 169.3
[M-H]- 297.024404 165.8
[M+NH4]+ 316.065503 178.4
[M+K]+ 336.994838 157.4
[M+H-H2O]+ 281.028940 158.3
[M+HCOO]- 343.029881 181.3
[M+CH3COO]- 357.045531 204.4
[M+Na-2H]- 319.006346 163.4
[M]+ 298.03113142 177.9
[M]- 298.03222858 177.9
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.