CID 217793

Brn 0458049

Structural Information

Molecular Formula
C23H25N3O3
SMILES
C1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)C3CC(=O)N(C3)C4=CC=CC=C4
InChI
InChI=1S/C23H25N3O3/c27-21-15-17(16-26(21)18-9-3-1-4-10-18)22(28)24-20-12-6-5-11-19(20)23(29)25-13-7-2-8-14-25/h1,3-6,9-12,17H,2,7-8,13-16H2,(H,24,28)
InChIKey
JSFFIPKQTJPPMR-UHFFFAOYSA-N
Compound name
5-oxo-1-phenyl-N-[2-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.1896 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.19688 193.9
[M+Na]+ 414.17882 195.5
[M-H]- 390.18232 202.5
[M+NH4]+ 409.22342 202.2
[M+K]+ 430.15276 190.4
[M+H-H2O]+ 374.18686 182.2
[M+HCOO]- 436.18780 208.8
[M+CH3COO]- 450.20345 200.9
[M+Na-2H]- 412.16427 190.5
[M]+ 391.18905 186.6
[M]- 391.19015 186.6
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.