CID 54683478

Schembl13892467

Structural Information

Molecular Formula
C14H10ClN3O3
SMILES
C1=CC(=CC(=C1)Cl)CN2C=CN3C=NC(=O)C(=C3C2=O)O
InChI
InChI=1S/C14H10ClN3O3/c15-10-3-1-2-9(6-10)7-17-4-5-18-8-16-13(20)12(19)11(18)14(17)21/h1-6,8,19H,7H2
InChIKey
AXZTZHHAJIPOCS-UHFFFAOYSA-N
Compound name
2-[(3-chlorophenyl)methyl]-9-hydroxypyrazino[1,2-c]pyrimidine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

303.04108 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.04836 164.6
[M+Na]+ 326.03030 177.6
[M-H]- 302.03380 167.9
[M+NH4]+ 321.07490 177.1
[M+K]+ 342.00424 170.7
[M+H-H2O]+ 286.03834 155.4
[M+HCOO]- 348.03928 179.2
[M+CH3COO]- 362.05493 176.3
[M+Na-2H]- 324.01575 171.2
[M]+ 303.04053 168.9
[M]- 303.04163 168.9
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