CID 44457600

1199589-74-6

Structural Information

Molecular Formula
C23H27FN4O2
SMILES
CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)C4=NOC5=C4C=C(C=C5)F
InChI
InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-14-17(24)5-6-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
InChIKey
YNIYHYADOBEXLE-UHFFFAOYSA-N
Compound name
3-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)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

2
Patents

410.2118 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.21908 203.3
[M+Na]+ 433.20102 211.2
[M-H]- 409.20452 208.1
[M+NH4]+ 428.24562 210.3
[M+K]+ 449.17496 204.1
[M+H-H2O]+ 393.20906 189.4
[M+HCOO]- 455.21000 212.9
[M+CH3COO]- 469.22565 210.3
[M+Na-2H]- 431.18647 201.8
[M]+ 410.21125 200.9
[M]- 410.21235 200.9
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