CID 119654

Acetamide, n-[3-[[(2,5-dioxo-1-pyrrolidinyl)ethyl]ethylamino]phenyl]-

Structural Information

Molecular Formula
C16H21N3O3
SMILES
CCN(CCN1C(=O)CCC1=O)C2=CC=CC(=C2)NC(=O)C
InChI
InChI=1S/C16H21N3O3/c1-3-18(9-10-19-15(21)7-8-16(19)22)14-6-4-5-13(11-14)17-12(2)20/h4-6,11H,3,7-10H2,1-2H3,(H,17,20)
InChIKey
QNRQNXKUSKBAET-UHFFFAOYSA-N
Compound name
N-[3-[2-(2,5-dioxopyrrolidin-1-yl)ethyl-ethylamino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

303.1583 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.16558 171.1
[M+Na]+ 326.14752 176.1
[M-H]- 302.15102 177.6
[M+NH4]+ 321.19212 186.4
[M+K]+ 342.12146 174.0
[M+H-H2O]+ 286.15556 162.5
[M+HCOO]- 348.15650 194.1
[M+CH3COO]- 362.17215 212.1
[M+Na-2H]- 324.13297 170.8
[M]+ 303.15775 171.7
[M]- 303.15885 171.7
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