CID 54692288

Schembl2898715

Structural Information

Molecular Formula
C19H20FN3O4
SMILES
C1CCC(C1)N2C(=O)C(=C3C(=O)N(CCN3C2=O)CC4=CC=C(C=C4)F)O
InChI
InChI=1S/C19H20FN3O4/c20-13-7-5-12(6-8-13)11-21-9-10-22-15(17(21)25)16(24)18(26)23(19(22)27)14-3-1-2-4-14/h5-8,14,24H,1-4,9-11H2
InChIKey
PUAQJJXUOFBPPS-UHFFFAOYSA-N
Compound name
7-cyclopentyl-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

6
Patents

373.1438 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.15108 187.7
[M+Na]+ 396.13302 196.6
[M-H]- 372.13652 192.1
[M+NH4]+ 391.17762 197.6
[M+K]+ 412.10696 190.0
[M+H-H2O]+ 356.14106 176.5
[M+HCOO]- 418.14200 200.7
[M+CH3COO]- 432.15765 196.4
[M+Na-2H]- 394.11847 185.3
[M]+ 373.14325 184.6
[M]- 373.14435 184.6
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