CID 54683959

Schembl2900613

Structural Information

Molecular Formula
C19H20FN3O5
SMILES
C1COCCC1N2C(=O)C(=C3C(=O)N(CCN3C2=O)CC4=CC=C(C=C4)F)O
InChI
InChI=1S/C19H20FN3O5/c20-13-3-1-12(2-4-13)11-21-7-8-22-15(17(21)25)16(24)18(26)23(19(22)27)14-5-9-28-10-6-14/h1-4,14,24H,5-11H2
InChIKey
RUWRDLPLJVPMFQ-UHFFFAOYSA-N
Compound name
2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(oxan-4-yl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

389.1387 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.14598 193.2
[M+Na]+ 412.12792 201.2
[M-H]- 388.13142 197.5
[M+NH4]+ 407.17252 198.9
[M+K]+ 428.10186 196.3
[M+H-H2O]+ 372.13596 180.4
[M+HCOO]- 434.13690 203.0
[M+CH3COO]- 448.15255 200.8
[M+Na-2H]- 410.11337 193.1
[M]+ 389.13815 189.8
[M]- 389.13925 189.8
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