CID 15958381

Chembl377244

Structural Information

Molecular Formula
C24H26N2O3
SMILES
COC1=C(C=C(C=C1)[C@H]2CC(=O)N(C2)CC3=CC(=CC=C3)C#N)OC4CCCC4
InChI
InChI=1S/C24H26N2O3/c1-28-22-10-9-19(12-23(22)29-21-7-2-3-8-21)20-13-24(27)26(16-20)15-18-6-4-5-17(11-18)14-25/h4-6,9-12,20-21H,2-3,7-8,13,15-16H2,1H3/t20-/m0/s1
InChIKey
BWGZDQBFZODGNV-FQEVSTJZSA-N
Compound name
3-[[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]methyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

390.19434 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.20162 194.9
[M+Na]+ 413.18356 203.0
[M-H]- 389.18706 203.2
[M+NH4]+ 408.22816 206.2
[M+K]+ 429.15750 194.2
[M+H-H2O]+ 373.19160 178.8
[M+HCOO]- 435.19254 210.2
[M+CH3COO]- 449.20819 202.7
[M+Na-2H]- 411.16901 189.6
[M]+ 390.19379 188.7
[M]- 390.19489 188.7
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.