CID 16077269

Chembl217070

Structural Information

Molecular Formula
C23H27N3O3
SMILES
C1CCC(CC1)N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)OC4=CC=C(C=C4)N
InChI
InChI=1S/C23H27N3O3/c24-17-6-10-20(11-7-17)29-21-12-8-18(9-13-21)25-23(28)16-14-22(27)26(15-16)19-4-2-1-3-5-19/h6-13,16,19H,1-5,14-15,24H2,(H,25,28)
InChIKey
MQDQSJHQEJVZKU-UHFFFAOYSA-N
Compound name
N-[4-(4-aminophenoxy)phenyl]-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

393.20523 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.21251 193.4
[M+Na]+ 416.19445 195.1
[M-H]- 392.19795 203.1
[M+NH4]+ 411.23905 202.9
[M+K]+ 432.16839 190.1
[M+H-H2O]+ 376.20249 182.5
[M+HCOO]- 438.20343 210.9
[M+CH3COO]- 452.21908 224.5
[M+Na-2H]- 414.17990 190.4
[M]+ 393.20468 186.0
[M]- 393.20578 186.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.