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]+ 381.217276 194.1
[M+Na]+ 403.199218 196.5
[M-H]- 379.202724 202.7
[M+NH4]+ 398.243823 205.6
[M+K]+ 419.173158 193.4
[M+H-H2O]+ 363.207260 183.7
[M+HCOO]- 425.208201 213.8
[M+CH3COO]- 439.223851 224.0
[M+Na-2H]- 401.184666 191.3
[M]+ 380.20945142 194.9
[M]- 380.21054858 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.