CID 16077272

5-oxo-n-(3-phenylphenyl)-1-[?]yl-pyrrolidine-3-carboxamide

Structural Information

Molecular Formula
C25H26N2O2
SMILES
C1CC2C(CC23C1C3)N4CC(CC4=O)C(=O)NC5=CC=CC(=C5)C6=CC=CC=C6
InChI
InChI=1S/C25H26N2O2/c28-23-12-18(15-27(23)22-14-25-13-19(25)9-10-21(22)25)24(29)26-20-8-4-7-17(11-20)16-5-2-1-3-6-16/h1-8,11,18-19,21-22H,9-10,12-15H2,(H,26,29)
InChIKey
XCKCSRQDYICDRX-UHFFFAOYSA-N
Compound name
5-oxo-N-(3-phenylphenyl)-1-(7-tricyclo[4.2.0.01,3]octanyl)pyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

386.19943 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.20671 184.4
[M+Na]+ 409.18865 189.8
[M-H]- 385.19215 197.4
[M+NH4]+ 404.23325 190.1
[M+K]+ 425.16259 186.7
[M+H-H2O]+ 369.19669 172.8
[M+HCOO]- 431.19763 201.0
[M+CH3COO]- 445.21328 193.3
[M+Na-2H]- 407.17410 182.4
[M]+ 386.19888 192.3
[M]- 386.19998 192.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.