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]+ 299.03896 160.5
[M+Na]+ 321.02090 169.3
[M-H]- 297.02440 165.8
[M+NH4]+ 316.06550 178.4
[M+K]+ 336.99484 157.4
[M+H-H2O]+ 281.02894 158.3
[M+HCOO]- 343.02988 181.3
[M+CH3COO]- 357.04553 204.4
[M+Na-2H]- 319.00635 163.4
[M]+ 298.03113 177.9
[M]- 298.03223 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.