CID 210862

Brn 0450385

Structural Information

Molecular Formula
C23H28N2O3
SMILES
CCC(=O)N(C1CCN(C1)CCC(=O)C2=CC=CC=C2)C3=CC=CC=C3OC
InChI
InChI=1S/C23H28N2O3/c1-3-23(27)25(20-11-7-8-12-22(20)28-2)19-13-15-24(17-19)16-14-21(26)18-9-5-4-6-10-18/h4-12,19H,3,13-17H2,1-2H3
InChIKey
YUGVFUZVEFHAKV-UHFFFAOYSA-N
Compound name
N-(2-methoxyphenyl)-N-[1-(3-oxo-3-phenylpropyl)pyrrolidin-3-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.21 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.21728 193.9
[M+Na]+ 403.19922 204.4
[M+NH4]+ 398.24382 200.2
[M+K]+ 419.17316 199.6
[M-H]- 379.20272 198.6
[M+Na-2H]- 401.18467 200.6
[M]+ 380.20945 196.5
[M]- 380.21055 196.5
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.