CID 15958392

Chembl379754

Structural Information

Molecular Formula
C23H24N2O3
SMILES
COC1=C(C=C(C=C1)[C@H]2CC(=O)N(C2)C3=CC=CC=C3C#N)OC4CCCC4
InChI
InChI=1S/C23H24N2O3/c1-27-21-11-10-16(12-22(21)28-19-7-3-4-8-19)18-13-23(26)25(15-18)20-9-5-2-6-17(20)14-24/h2,5-6,9-12,18-19H,3-4,7-8,13,15H2,1H3/t18-/m0/s1
InChIKey
TUEOZXRWMDRPNV-SFHVURJKSA-N
Compound name
2-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
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

No patent data available for this compound.