CID 5276945

(2r)-3-cyclobutyl-2-[(3s)-3-(3-fluorophenyl)-4-[[4-(6-phenylimidazo[1,2-a]pyridin-3-yl)-1-piperidyl]methyl]pyrrolidin-1-yl]propanoic acid

Structural Information

Molecular Formula
C36H41FN4O2
SMILES
C1CC(C1)C[C@H](C(=O)O)N2C[C@@H](C(C2)CN3CCC(CC3)C4=CN=C5N4C=C(C=C5)C6=CC=CC=C6)C7=CC(=CC=C7)F
InChI
InChI=1S/C36H41FN4O2/c37-31-11-5-10-28(19-31)32-24-40(33(36(42)43)18-25-6-4-7-25)22-30(32)21-39-16-14-27(15-17-39)34-20-38-35-13-12-29(23-41(34)35)26-8-2-1-3-9-26/h1-3,5,8-13,19-20,23,25,27,30,32-33H,4,6-7,14-18,21-22,24H2,(H,42,43)/t30?,32-,33-/m1/s1
InChIKey
NOMDKPQZZPKQLJ-PKYOMLKSSA-N
Compound name
(2R)-3-cyclobutyl-2-[(3S)-3-(3-fluorophenyl)-4-[[4-(6-phenylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

580.32135 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 581.32863 236.5
[M+Na]+ 603.31057 235.8
[M-H]- 579.31407 245.7
[M+NH4]+ 598.35517 230.4
[M+K]+ 619.28451 230.3
[M+H-H2O]+ 563.31861 216.3
[M+HCOO]- 625.31955 241.1
[M+CH3COO]- 639.33520 238.2
[M+Na-2H]- 601.29602 224.6
[M]+ 580.32080 237.3
[M]- 580.32190 237.3
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.