CID 54705346

Schembl4318984

Structural Information

Molecular Formula
C15H13ClN2O3
SMILES
C1CN(C(=O)C2=C(C(=O)C=CN21)O)CC3=CC(=CC=C3)Cl
InChI
InChI=1S/C15H13ClN2O3/c16-11-3-1-2-10(8-11)9-18-7-6-17-5-4-12(19)14(20)13(17)15(18)21/h1-5,8,20H,6-7,9H2
InChIKey
JXJKCYITWWFJBQ-UHFFFAOYSA-N
Compound name
2-[(3-chlorophenyl)methyl]-9-hydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

304.06146 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.06874 166.1
[M+Na]+ 327.05068 176.7
[M-H]- 303.05418 170.0
[M+NH4]+ 322.09528 179.8
[M+K]+ 343.02462 170.2
[M+H-H2O]+ 287.05872 157.7
[M+HCOO]- 349.05966 179.0
[M+CH3COO]- 363.07531 177.2
[M+Na-2H]- 325.03613 170.2
[M]+ 304.06091 167.5
[M]- 304.06201 167.5
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