CID 71316832

152542-00-2

Structural Information

Molecular Formula
C23H28FN3O3
SMILES
CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)C(=O)C4=C(C=C(C=C4)F)O
InChI
InChI=1S/C23H28FN3O3/c1-15-18(23(30)27-10-3-2-4-21(27)25-15)9-13-26-11-7-16(8-12-26)22(29)19-6-5-17(24)14-20(19)28/h5-6,14,16,28H,2-4,7-13H2,1H3
InChIKey
JPJZOAXKSNJOGJ-UHFFFAOYSA-N
Compound name
3-[2-[4-(4-fluoro-2-hydroxybenzoyl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

413.21146 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.21874 203.3
[M+Na]+ 436.20068 208.2
[M-H]- 412.20418 205.8
[M+NH4]+ 431.24528 209.2
[M+K]+ 452.17462 201.2
[M+H-H2O]+ 396.20872 190.2
[M+HCOO]- 458.20966 211.2
[M+CH3COO]- 472.22531 209.0
[M+Na-2H]- 434.18613 200.4
[M]+ 413.21091 197.4
[M]- 413.21201 197.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe