CID 10364767

Chembl210859

Structural Information

Molecular Formula
C23H24F3NO3
SMILES
COC1=C(C=C(C=C1)[C@H]2CC(=O)N(C2)C3=CC=C(C=C3)C(F)(F)F)OC4CCCC4
InChI
InChI=1S/C23H24F3NO3/c1-29-20-11-6-15(12-21(20)30-19-4-2-3-5-19)16-13-22(28)27(14-16)18-9-7-17(8-10-18)23(24,25)26/h6-12,16,19H,2-5,13-14H2,1H3/t16-/m0/s1
InChIKey
QQTHZCDOZGBKAO-INIZCTEOSA-N
Compound name
(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

419.17084 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.17812 198.4
[M+Na]+ 442.16006 204.3
[M-H]- 418.16356 205.9
[M+NH4]+ 437.20466 210.3
[M+K]+ 458.13400 198.8
[M+H-H2O]+ 402.16810 187.0
[M+HCOO]- 464.16904 212.7
[M+CH3COO]- 478.18469 223.4
[M+Na-2H]- 440.14551 192.7
[M]+ 419.17029 193.7
[M]- 419.17139 193.7
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.