CID 15958388

Chembl211856

Structural Information

Molecular Formula
C22H27N3O3
SMILES
COC1=C(C=C(C=C1)[C@H]2CC(=O)N(C2)C3=CC(=CC(=C3)N)N)OC4CCCC4
InChI
InChI=1S/C22H27N3O3/c1-27-20-7-6-14(8-21(20)28-19-4-2-3-5-19)15-9-22(26)25(13-15)18-11-16(23)10-17(24)12-18/h6-8,10-12,15,19H,2-5,9,13,23-24H2,1H3/t15-/m0/s1
InChIKey
FMSYTDXNCLWCCO-HNNXBMFYSA-N
Compound name
(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(3,5-diaminophenyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

381.20523 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.21251 190.1
[M+Na]+ 404.19445 194.9
[M-H]- 380.19795 201.1
[M+NH4]+ 399.23905 202.7
[M+K]+ 420.16839 189.9
[M+H-H2O]+ 364.20249 180.9
[M+HCOO]- 426.20343 210.6
[M+CH3COO]- 440.21908 199.5
[M+Na-2H]- 402.17990 184.9
[M]+ 381.20468 186.1
[M]- 381.20578 186.1
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.