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

33
Patents

413.21146 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.218736 203.3
[M+Na]+ 436.200678 208.2
[M-H]- 412.204184 205.8
[M+NH4]+ 431.245283 209.2
[M+K]+ 452.174618 201.2
[M+H-H2O]+ 396.208720 190.2
[M+HCOO]- 458.209661 211.2
[M+CH3COO]- 472.225311 209.0
[M+Na-2H]- 434.186126 200.4
[M]+ 413.21091142 197.4
[M]- 413.21200858 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