CID 54685057

Schembl4326909

Structural Information

Molecular Formula
C14H9Cl2N3O3
SMILES
C1=CC(=C(C=C1CN2C=CN3C=NC(=O)C(=C3C2=O)O)Cl)Cl
InChI
InChI=1S/C14H9Cl2N3O3/c15-9-2-1-8(5-10(9)16)6-18-3-4-19-7-17-13(21)12(20)11(19)14(18)22/h1-5,7,20H,6H2
InChIKey
MPFBWLLNGGQYGM-UHFFFAOYSA-N
Compound name
2-[(3,4-dichlorophenyl)methyl]-9-hydroxypyrazino[1,2-c]pyrimidine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

337.0021 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.00938 168.9
[M+Na]+ 359.99132 182.9
[M-H]- 335.99482 171.7
[M+NH4]+ 355.03592 180.8
[M+K]+ 375.96526 175.3
[M+H-H2O]+ 319.99936 160.4
[M+HCOO]- 382.00030 178.3
[M+CH3COO]- 396.01595 180.1
[M+Na-2H]- 357.97677 174.0
[M]+ 337.00155 174.7
[M]- 337.00265 174.7
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