CID 54707929

2-[(3-chlorophenyl)methyl]-9-hydroxy-7-(1h-pyrazol-3-yl)pyrido[1,2-a]pyrazine-1,8-dione

Structural Information

Molecular Formula
C18H13ClN4O3
SMILES
C1=CC(=CC(=C1)Cl)CN2C=CN3C=C(C(=O)C(=C3C2=O)O)C4=CC=NN4
InChI
InChI=1S/C18H13ClN4O3/c19-12-3-1-2-11(8-12)9-23-7-6-22-10-13(14-4-5-20-21-14)16(24)17(25)15(22)18(23)26/h1-8,10,25H,9H2,(H,20,21)
InChIKey
UUGZQHGRHYKODU-UHFFFAOYSA-N
Compound name
2-[(3-chlorophenyl)methyl]-9-hydroxy-7-(1H-pyrazol-5-yl)pyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

368.06763 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.07491 183.8
[M+Na]+ 391.05685 197.3
[M-H]- 367.06035 188.4
[M+NH4]+ 386.10145 193.1
[M+K]+ 407.03079 188.1
[M+H-H2O]+ 351.06489 173.3
[M+HCOO]- 413.06583 197.4
[M+CH3COO]- 427.08148 194.1
[M+Na-2H]- 389.04230 187.1
[M]+ 368.06708 188.1
[M]- 368.06818 188.1
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.