CID 54683366

Schembl14129922

Structural Information

Molecular Formula
C19H13FN4O3
SMILES
C1=CC(=CC(=C1)F)CN2C=CN3C=C(C(=O)C(=C3C2=O)O)C4=NC=CN=C4
InChI
InChI=1S/C19H13FN4O3/c20-13-3-1-2-12(8-13)10-24-7-6-23-11-14(15-9-21-4-5-22-15)17(25)18(26)16(23)19(24)27/h1-9,11,26H,10H2
InChIKey
BTSXJKQYQYQCSJ-UHFFFAOYSA-N
Compound name
2-[(3-fluorophenyl)methyl]-9-hydroxy-7-pyrazin-2-ylpyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

364.09717 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.10445 187.7
[M+Na]+ 387.08639 199.8
[M-H]- 363.08989 191.6
[M+NH4]+ 382.13099 194.7
[M+K]+ 403.06033 191.4
[M+H-H2O]+ 347.09443 174.4
[M+HCOO]- 409.09537 203.6
[M+CH3COO]- 423.11102 197.0
[M+Na-2H]- 385.07184 192.8
[M]+ 364.09662 188.5
[M]- 364.09772 188.5
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

No patent data available for this compound.