CID 4847

Pirenperone

Structural Information

Molecular Formula
C23H24FN3O2
SMILES
CC1=C(C(=O)N2C=CC=CC2=N1)CCN3CCC(CC3)C(=O)C4=CC=C(C=C4)F
InChI
InChI=1S/C23H24FN3O2/c1-16-20(23(29)27-12-3-2-4-21(27)25-16)11-15-26-13-9-18(10-14-26)22(28)17-5-7-19(24)8-6-17/h2-8,12,18H,9-11,13-15H2,1H3
InChIKey
HXCNRYXBZNHDNE-UHFFFAOYSA-N
Compound name
3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

104
References

568
Patents

393.18524 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.19252 197.9
[M+Na]+ 416.17446 212.8
[M+NH4]+ 411.21906 204.0
[M+K]+ 432.14840 204.0
[M-H]- 392.17796 201.6
[M+Na-2H]- 414.15991 204.9
[M]+ 393.18469 201.0
[M]- 393.18579 201.0
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

patents stripe