CID 217107

38123-79-4

Structural Information

Molecular Formula
C21H23N3O2
SMILES
C1CN(CCN1)C(=O)[C@H]2CC(=O)N([C@@H]2C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H23N3O2/c25-19-15-18(21(26)23-13-11-22-12-14-23)20(16-7-3-1-4-8-16)24(19)17-9-5-2-6-10-17/h1-10,18,20,22H,11-15H2/t18-,20+/m0/s1
InChIKey
XVEVQLOCDBVXQI-AZUAARDMSA-N
Compound name
(4S,5S)-1,5-diphenyl-4-(piperazine-1-carbonyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.17902 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.18630 185.3
[M+Na]+ 372.16824 188.5
[M-H]- 348.17174 191.4
[M+NH4]+ 367.21284 193.9
[M+K]+ 388.14218 181.9
[M+H-H2O]+ 332.17628 173.4
[M+HCOO]- 394.17722 197.6
[M+CH3COO]- 408.19287 192.5
[M+Na-2H]- 370.15369 182.6
[M]+ 349.17847 176.6
[M]- 349.17957 176.6
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.