CID 10473148

Chembl378305

Structural Information

Molecular Formula
C22H25NO3
SMILES
COC1=C(C=C(C=C1)[C@H]2CC(=O)N(C2)C3=CC=CC=C3)OC4CCCC4
InChI
InChI=1S/C22H25NO3/c1-25-20-12-11-16(13-21(20)26-19-9-5-6-10-19)17-14-22(24)23(15-17)18-7-3-2-4-8-18/h2-4,7-8,11-13,17,19H,5-6,9-10,14-15H2,1H3/t17-/m0/s1
InChIKey
QXSLTLYPUDAKFY-KRWDZBQOSA-N
Compound name
(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

351.18344 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.19072 184.4
[M+Na]+ 374.17266 189.3
[M-H]- 350.17616 195.6
[M+NH4]+ 369.21726 198.9
[M+K]+ 390.14660 184.8
[M+H-H2O]+ 334.18070 175.1
[M+HCOO]- 396.18164 204.0
[M+CH3COO]- 410.19729 194.6
[M+Na-2H]- 372.15811 180.5
[M]+ 351.18289 182.5
[M]- 351.18399 182.5
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