CID 21119890

N-[3-[1-(2,5-dioxopyrrolidin-1-yl)ethyl-ethylamino]phenyl]acetamide

Structural Information

Molecular Formula
C16H21N3O3
SMILES
CCN(C1=CC=CC(=C1)NC(=O)C)C(C)N2C(=O)CCC2=O
InChI
InChI=1S/C16H21N3O3/c1-4-18(12(3)19-15(21)8-9-16(19)22)14-7-5-6-13(10-14)17-11(2)20/h5-7,10,12H,4,8-9H2,1-3H3,(H,17,20)
InChIKey
HABYXPZDYUOXMD-UHFFFAOYSA-N
Compound name
N-[3-[1-(2,5-dioxopyrrolidin-1-yl)ethyl-ethylamino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.1583 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.165576 171.2
[M+Na]+ 326.147518 175.9
[M-H]- 302.151024 177.8
[M+NH4]+ 321.192123 186.4
[M+K]+ 342.121458 174.4
[M+H-H2O]+ 286.155560 162.8
[M+HCOO]- 348.156501 193.3
[M+CH3COO]- 362.172151 213.0
[M+Na-2H]- 324.132966 169.7
[M]+ 303.15775142 171.3
[M]- 303.15884858 171.3
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.