CID 2398044

N-(4-acetamidophenyl)-2-(ethylamino)acetamide

Structural Information

Molecular Formula
C12H17N3O2
SMILES
CCNCC(=O)NC1=CC=C(C=C1)NC(=O)C
InChI
InChI=1S/C12H17N3O2/c1-3-13-8-12(17)15-11-6-4-10(5-7-11)14-9(2)16/h4-7,13H,3,8H2,1-2H3,(H,14,16)(H,15,17)
InChIKey
JWIMOEHRTJKXCY-UHFFFAOYSA-N
Compound name
N-(4-acetamidophenyl)-2-(ethylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

235.13208 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.13936 154.3
[M+Na]+ 258.12130 158.8
[M-H]- 234.12480 157.7
[M+NH4]+ 253.16590 171.1
[M+K]+ 274.09524 157.0
[M+H-H2O]+ 218.12934 146.9
[M+HCOO]- 280.13028 179.8
[M+CH3COO]- 294.14593 199.3
[M+Na-2H]- 256.10675 158.6
[M]+ 235.13153 153.4
[M]- 235.13263 153.4
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.