CID 3038414

38123-83-0

Structural Information

Molecular Formula
C23H27N3O3
SMILES
CCOC1=CC=C(C=C1)N2[C@@H]([C@@H](CC2=O)C(=O)N3CCNCC3)C4=CC=CC=C4
InChI
InChI=1S/C23H27N3O3/c1-2-29-19-10-8-18(9-11-19)26-21(27)16-20(22(26)17-6-4-3-5-7-17)23(28)25-14-12-24-13-15-25/h3-11,20,22,24H,2,12-16H2,1H3/t20-,22-/m1/s1
InChIKey
JLZINSIHFWQMCD-IFMALSPDSA-N
Compound name
(4R,5S)-1-(4-ethoxyphenyl)-5-phenyl-4-(piperazine-1-carbonyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.20523 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.21251 196.9
[M+Na]+ 416.19445 199.8
[M-H]- 392.19795 203.0
[M+NH4]+ 411.23905 203.8
[M+K]+ 432.16839 193.6
[M+H-H2O]+ 376.20249 184.7
[M+HCOO]- 438.20343 208.6
[M+CH3COO]- 452.21908 203.4
[M+Na-2H]- 414.17990 192.5
[M]+ 393.20468 190.6
[M]- 393.20578 190.6
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.