CID 15958380

Chembl379813

Structural Information

Molecular Formula
C22H26N2O3
SMILES
COC1=C(C=C(C=C1)[C@H]2CC(=O)N(C2)C3=CC=CC(=C3)N)OC4CCCC4
InChI
InChI=1S/C22H26N2O3/c1-26-20-10-9-15(11-21(20)27-19-7-2-3-8-19)16-12-22(25)24(14-16)18-6-4-5-17(23)13-18/h4-6,9-11,13,16,19H,2-3,7-8,12,14,23H2,1H3/t16-/m0/s1
InChIKey
MBLZDHJUHFQZLN-INIZCTEOSA-N
Compound name
(4R)-1-(3-aminophenyl)-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
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

patents stripe