CID 5276946

(2r)-3-cyclobutyl-2-[(4s)-3-[[4-(7-ethylimidazo[1,2-a]pyridin-3-yl)-1-piperidyl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid

Structural Information

Molecular Formula
C32H41FN4O2
SMILES
CCC1=CC2=NC=C(N2C=C1)C3CCN(CC3)CC4CN(C[C@@H]4C5=CC(=CC=C5)F)[C@H](CC6CCC6)C(=O)O
InChI
InChI=1S/C32H41FN4O2/c1-2-22-9-14-37-30(18-34-31(37)16-22)24-10-12-35(13-11-24)19-26-20-36(29(32(38)39)15-23-5-3-6-23)21-28(26)25-7-4-8-27(33)17-25/h4,7-9,14,16-18,23-24,26,28-29H,2-3,5-6,10-13,15,19-21H2,1H3,(H,38,39)/t26?,28-,29-/m1/s1
InChIKey
XHIDYJZGPCURNT-UDBPPPDTSA-N
Compound name
(2R)-3-cyclobutyl-2-[(4S)-3-[[4-(7-ethylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

532.32135 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.32863 229.5
[M+Na]+ 555.31057 229.5
[M-H]- 531.31407 236.3
[M+NH4]+ 550.35517 226.1
[M+K]+ 571.28451 224.9
[M+H-H2O]+ 515.31861 210.8
[M+HCOO]- 577.31955 234.6
[M+CH3COO]- 591.33520 232.1
[M+Na-2H]- 553.29602 217.5
[M]+ 532.32080 232.0
[M]- 532.32190 232.0
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.