CID 54683453

Schembl14129836

Structural Information

Molecular Formula
C19H13ClN4O3
SMILES
C1=CC(=CC(=C1)Cl)CN2C=CN3C=C(C(=O)C(=C3C2=O)O)C4=NC=CN=C4
InChI
InChI=1S/C19H13ClN4O3/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
XELANARZVMIFQZ-UHFFFAOYSA-N
Compound name
2-[(3-chlorophenyl)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

380.06763 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.07491 188.7
[M+Na]+ 403.05685 201.2
[M-H]- 379.06035 193.5
[M+NH4]+ 398.10145 195.9
[M+K]+ 419.03079 192.5
[M+H-H2O]+ 363.06489 176.5
[M+HCOO]- 425.06583 201.0
[M+CH3COO]- 439.08148 198.2
[M+Na-2H]- 401.04230 194.0
[M]+ 380.06708 192.6
[M]- 380.06818 192.6
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

No patent data available for this compound.