CID 3038416

38123-98-7

Structural Information

Molecular Formula
C23H27N3O3
SMILES
CCOC1=CC=C(C=C1)[C@@H]2[C@H](CC(=O)N2C3=CC=CC=C3)C(=O)N4CCNCC4
InChI
InChI=1S/C23H27N3O3/c1-2-29-19-10-8-17(9-11-19)22-20(23(28)25-14-12-24-13-15-25)16-21(27)26(22)18-6-4-3-5-7-18/h3-11,20,22,24H,2,12-16H2,1H3/t20-,22+/m0/s1
InChIKey
JXXZVQPCPRADNI-RBBKRZOGSA-N
Compound name
(4S,5S)-5-(4-ethoxyphenyl)-1-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 198.0
[M+Na]+ 416.19445 209.8
[M+NH4]+ 411.23905 203.6
[M+K]+ 432.16839 204.7
[M-H]- 392.19795 202.6
[M+Na-2H]- 414.17990 204.4
[M]+ 393.20468 200.7
[M]- 393.20578 200.7
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.