CID 10452155

Chembl210253

Structural Information

Molecular Formula
C23H24N2O3
SMILES
COC1=C(C=C(C=C1)[C@H]2CC(=O)N(C2)C3=CC=CC(=C3)C#N)OC4CCCC4
InChI
InChI=1S/C23H24N2O3/c1-27-21-10-9-17(12-22(21)28-20-7-2-3-8-20)18-13-23(26)25(15-18)19-6-4-5-16(11-19)14-24/h4-6,9-12,18,20H,2-3,7-8,13,15H2,1H3/t18-/m0/s1
InChIKey
JUEZWZGYCGRSBU-SFHVURJKSA-N
Compound name
3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

376.17868 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.18596 191.2
[M+Na]+ 399.16790 199.7
[M-H]- 375.17140 199.6
[M+NH4]+ 394.21250 203.0
[M+K]+ 415.14184 191.1
[M+H-H2O]+ 359.17594 175.2
[M+HCOO]- 421.17688 206.8
[M+CH3COO]- 435.19253 199.4
[M+Na-2H]- 397.15335 186.3
[M]+ 376.17813 184.7
[M]- 376.17923 184.7
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