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 194.1
[M+Na]+ 403.19922 196.5
[M-H]- 379.20272 202.7
[M+NH4]+ 398.24382 205.6
[M+K]+ 419.17316 193.4
[M+H-H2O]+ 363.20726 183.7
[M+HCOO]- 425.20820 213.8
[M+CH3COO]- 439.22385 224.0
[M+Na-2H]- 401.18467 191.3
[M]+ 380.20945 194.9
[M]- 380.21055 194.9
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.