CID 217129

38160-03-1

Structural Information

Molecular Formula
C17H23N3O3
SMILES
CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CCNCC3
InChI
InChI=1S/C17H23N3O3/c1-2-23-15-5-3-14(4-6-15)20-12-13(11-16(20)21)17(22)19-9-7-18-8-10-19/h3-6,13,18H,2,7-12H2,1H3
InChIKey
XLMRKHPACLFOLT-UHFFFAOYSA-N
Compound name
1-(4-ethoxyphenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.17395 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.18123 176.9
[M+Na]+ 340.16317 180.6
[M-H]- 316.16667 180.2
[M+NH4]+ 335.20777 187.5
[M+K]+ 356.13711 176.2
[M+H-H2O]+ 300.17121 166.5
[M+HCOO]- 362.17215 189.6
[M+CH3COO]- 376.18780 202.6
[M+Na-2H]- 338.14862 174.2
[M]+ 317.17340 171.1
[M]- 317.17450 171.1
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.