CID 54683958

Schembl2900488

Structural Information

Molecular Formula
C20H22FN3O4
SMILES
C1CCC(CC1)N2C(=O)C(=C3C(=O)N(CCN3C2=O)CC4=CC=C(C=C4)F)O
InChI
InChI=1S/C20H22FN3O4/c21-14-8-6-13(7-9-14)12-22-10-11-23-16(18(22)26)17(25)19(27)24(20(23)28)15-4-2-1-3-5-15/h6-9,15,25H,1-5,10-12H2
InChIKey
JYXGXPKEPBINBT-UHFFFAOYSA-N
Compound name
7-cyclohexyl-2-[(4-fluorophenyl)methyl]-9-hydroxy-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

387.15942 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.16670 193.8
[M+Na]+ 410.14864 201.4
[M-H]- 386.15214 197.3
[M+NH4]+ 405.19324 201.0
[M+K]+ 426.12258 194.6
[M+H-H2O]+ 370.15668 181.1
[M+HCOO]- 432.15762 204.0
[M+CH3COO]- 446.17327 201.1
[M+Na-2H]- 408.13409 192.8
[M]+ 387.15887 188.7
[M]- 387.15997 188.7
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