CID 10021819

Chembl212565

Structural Information

Molecular Formula
C22H26N2O3
SMILES
COC1=C(C=C(C=C1)[C@H]2CC(=O)N(C2)C3=CC=C(C=C3)N)OC4CCCC4
InChI
InChI=1S/C22H26N2O3/c1-26-20-11-6-15(12-21(20)27-19-4-2-3-5-19)16-13-22(25)24(14-16)18-9-7-17(23)8-10-18/h6-12,16,19H,2-5,13-14,23H2,1H3/t16-/m0/s1
InChIKey
XZCUZLXUBWOTCO-INIZCTEOSA-N
Compound name
(4R)-1-(4-aminophenyl)-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

366.19434 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.20162 187.3
[M+Na]+ 389.18356 192.1
[M-H]- 365.18706 198.4
[M+NH4]+ 384.22816 200.9
[M+K]+ 405.15750 187.4
[M+H-H2O]+ 349.19160 178.0
[M+HCOO]- 411.19254 207.4
[M+CH3COO]- 425.20819 197.1
[M+Na-2H]- 387.16901 182.7
[M]+ 366.19379 184.4
[M]- 366.19489 184.4
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.