CID 54683295

Schembl14129760

Structural Information

Molecular Formula
C15H12ClN3O3
SMILES
C1=CC(=CC(=C1)Cl)CN2C=CN3C=C(C(=O)C(=C3C2=O)O)N
InChI
InChI=1S/C15H12ClN3O3/c16-10-3-1-2-9(6-10)7-19-5-4-18-8-11(17)13(20)14(21)12(18)15(19)22/h1-6,8,21H,7,17H2
InChIKey
LZYMAHYDTSMQKX-UHFFFAOYSA-N
Compound name
7-amino-2-[(3-chlorophenyl)methyl]-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

317.05673 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.06401 169.7
[M+Na]+ 340.04595 182.4
[M-H]- 316.04945 174.2
[M+NH4]+ 335.09055 182.8
[M+K]+ 356.01989 175.2
[M+H-H2O]+ 300.05399 161.4
[M+HCOO]- 362.05493 185.8
[M+CH3COO]- 376.07058 181.3
[M+Na-2H]- 338.03140 174.5
[M]+ 317.05618 172.9
[M]- 317.05728 172.9
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