CID 210875

21820-61-1

Structural Information

Molecular Formula
C22H28N2O3
SMILES
CCC(=O)N(C1CCN(C1)CCOC2=CC=CC=C2OC)C3=CC=CC=C3
InChI
InChI=1S/C22H28N2O3/c1-3-22(25)24(18-9-5-4-6-10-18)19-13-14-23(17-19)15-16-27-21-12-8-7-11-20(21)26-2/h4-12,19H,3,13-17H2,1-2H3
InChIKey
XFNCFUZXHMWCAU-UHFFFAOYSA-N
Compound name
N-[1-[2-(2-methoxyphenoxy)ethyl]pyrrolidin-3-yl]-N-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

368.21 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.21728 190.6
[M+Na]+ 391.19922 193.4
[M-H]- 367.20272 199.2
[M+NH4]+ 386.24382 202.7
[M+K]+ 407.17316 190.6
[M+H-H2O]+ 351.20726 180.0
[M+HCOO]- 413.20820 211.4
[M+CH3COO]- 427.22385 220.9
[M+Na-2H]- 389.18467 189.4
[M]+ 368.20945 192.3
[M]- 368.21055 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

No literature data available for this compound.

Patent stripe

patents stripe