CID 54683437

Schembl4315216

Structural Information

Molecular Formula
C15H14N2O3
SMILES
C1CN(C(=O)C2=C(C(=O)C=CN21)O)CC3=CC=CC=C3
InChI
InChI=1S/C15H14N2O3/c18-12-6-7-16-8-9-17(15(20)13(16)14(12)19)10-11-4-2-1-3-5-11/h1-7,19H,8-10H2
InChIKey
DBGDTDFTUURGQM-UHFFFAOYSA-N
Compound name
2-benzyl-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

270.10043 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.10771 160.3
[M+Na]+ 293.08965 169.3
[M-H]- 269.09315 164.1
[M+NH4]+ 288.13425 174.2
[M+K]+ 309.06359 164.1
[M+H-H2O]+ 253.09769 151.2
[M+HCOO]- 315.09863 177.8
[M+CH3COO]- 329.11428 171.4
[M+Na-2H]- 291.07510 165.6
[M]+ 270.09988 159.1
[M]- 270.10098 159.1
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

patents stripe