CID 210859

Brn 0496319

Structural Information

Molecular Formula
C22H26N2O2
SMILES
CCC(=O)N(C1CCN(C1)CCC(=O)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H26N2O2/c1-2-22(26)24(19-11-7-4-8-12-19)20-13-15-23(17-20)16-14-21(25)18-9-5-3-6-10-18/h3-12,20H,2,13-17H2,1H3
InChIKey
ARUCVIVHEKREBL-UHFFFAOYSA-N
Compound name
N-[1-(3-oxo-3-phenylpropyl)pyrrolidin-3-yl]-N-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.19943 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.20671 187.0
[M+Na]+ 373.18865 189.1
[M-H]- 349.19215 195.3
[M+NH4]+ 368.23325 199.5
[M+K]+ 389.16259 185.5
[M+H-H2O]+ 333.19669 176.6
[M+HCOO]- 395.19763 206.8
[M+CH3COO]- 409.21328 217.8
[M+Na-2H]- 371.17410 185.2
[M]+ 350.19888 185.6
[M]- 350.19998 185.6
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

patents stripe