CID 10407678

Chembl380003

Structural Information

Molecular Formula
C22H25FN2O3
SMILES
COC1=C(C=C(C=C1)[C@H]2CC(=O)N(C2)C3=CC(=CC(=C3)N)F)OC4CCCC4
InChI
InChI=1S/C22H25FN2O3/c1-27-20-7-6-14(8-21(20)28-19-4-2-3-5-19)15-9-22(26)25(13-15)18-11-16(23)10-17(24)12-18/h6-8,10-12,15,19H,2-5,9,13,24H2,1H3/t15-/m0/s1
InChIKey
NKPGDFZEVDUVMO-HNNXBMFYSA-N
Compound name
(4R)-1-(3-amino-5-fluorophenyl)-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

384.1849 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.19218 190.7
[M+Na]+ 407.17412 196.4
[M-H]- 383.17762 200.7
[M+NH4]+ 402.21872 203.7
[M+K]+ 423.14806 191.2
[M+H-H2O]+ 367.18216 180.7
[M+HCOO]- 429.18310 209.6
[M+CH3COO]- 443.19875 221.3
[M+Na-2H]- 405.15957 184.8
[M]+ 384.18435 187.2
[M]- 384.18545 187.2
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.