CID 54692286

Schembl2893714

Structural Information

Molecular Formula
C19H21FN4O5
SMILES
C1COCC(N1)CN2C(=O)C(=C3C(=O)N(CCN3C2=O)CC4=CC=C(C=C4)F)O
InChI
InChI=1S/C19H21FN4O5/c20-13-3-1-12(2-4-13)9-22-6-7-23-15(17(22)26)16(25)18(27)24(19(23)28)10-14-11-29-8-5-21-14/h1-4,14,21,25H,5-11H2
InChIKey
MPONJISJZZIVBN-UHFFFAOYSA-N
Compound name
2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(morpholin-3-ylmethyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

404.1496 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.15688 199.1
[M+Na]+ 427.13882 206.7
[M-H]- 403.14232 200.8
[M+NH4]+ 422.18342 202.1
[M+K]+ 443.11276 200.5
[M+H-H2O]+ 387.14686 185.9
[M+HCOO]- 449.14780 206.0
[M+CH3COO]- 463.16345 205.2
[M+Na-2H]- 425.12427 198.5
[M]+ 404.14905 194.5
[M]- 404.15015 194.5
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