CID 6439091

Fk-453

Structural Information

Molecular Formula
C23H25N3O2
SMILES
C1CCN([C@H](C1)CCO)C(=O)/C=C/C2=C3C=CC=CN3N=C2C4=CC=CC=C4
InChI
InChI=1S/C23H25N3O2/c27-17-14-19-10-4-6-15-25(19)22(28)13-12-20-21-11-5-7-16-26(21)24-23(20)18-8-2-1-3-9-18/h1-3,5,7-9,11-13,16,19,27H,4,6,10,14-15,17H2/b13-12+/t19-/m1/s1
InChIKey
OPLOPFHUHFGKMJ-JXOMPUQVSA-N
Compound name
(E)-1-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

20
References

69
Patents

375.19467 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.20195 193.3
[M+Na]+ 398.18389 207.1
[M+NH4]+ 393.22849 199.8
[M+K]+ 414.15783 200.4
[M-H]- 374.18739 197.3
[M+Na-2H]- 396.16934 200.3
[M]+ 375.19412 196.3
[M]- 375.19522 196.3
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

patents stripe