CID 3058962

Benzenebutanamide, 4-(acetylamino)-

Structural Information

Molecular Formula
C12H16N2O2
SMILES
CC(=O)NC1=CC=C(C=C1)CCCC(=O)N
InChI
InChI=1S/C12H16N2O2/c1-9(15)14-11-7-5-10(6-8-11)3-2-4-12(13)16/h5-8H,2-4H2,1H3,(H2,13,16)(H,14,15)
InChIKey
KFJFZZHQKFKWKB-UHFFFAOYSA-N
Compound name
4-(4-acetamidophenyl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

220.12119 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.12847 151.0
[M+Na]+ 243.11041 156.3
[M-H]- 219.11391 153.9
[M+NH4]+ 238.15501 168.4
[M+K]+ 259.08435 154.1
[M+H-H2O]+ 203.11845 144.1
[M+HCOO]- 265.11939 174.8
[M+CH3COO]- 279.13504 194.2
[M+Na-2H]- 241.09586 153.8
[M]+ 220.12064 149.9
[M]- 220.12174 149.9
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

No patent data available for this compound.