CID 1999

Acetylpheneturide

Structural Information

Molecular Formula
C13H16N2O3
SMILES
CCC(C1=CC=CC=C1)C(=O)NC(=O)NC(=O)C
InChI
InChI=1S/C13H16N2O3/c1-3-11(10-7-5-4-6-8-10)12(17)15-13(18)14-9(2)16/h4-8,11H,3H2,1-2H3,(H2,14,15,16,17,18)
InChIKey
GBPZSCQLDXUGNO-UHFFFAOYSA-N
Compound name
N-(acetylcarbamoyl)-2-phenylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

1237
Patents

248.11609 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.12337 158.4
[M+Na]+ 271.10531 162.3
[M-H]- 247.10881 161.6
[M+NH4]+ 266.14991 174.5
[M+K]+ 287.07925 161.3
[M+H-H2O]+ 231.11335 151.2
[M+HCOO]- 293.11429 181.0
[M+CH3COO]- 307.12994 197.7
[M+Na-2H]- 269.09076 160.0
[M]+ 248.11554 157.5
[M]- 248.11664 157.5
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