CID 54677948

Schembl14129825

Structural Information

Molecular Formula
C18H17ClN2O3
SMILES
CC(C)C1=CN(C(=O)C2=C(C(=O)C=CN12)O)CC3=CC(=CC=C3)Cl
InChI
InChI=1S/C18H17ClN2O3/c1-11(2)14-10-20(9-12-4-3-5-13(19)8-12)18(24)16-17(23)15(22)6-7-21(14)16/h3-8,10-11,23H,9H2,1-2H3
InChIKey
SUCTWFCDXHIYPO-UHFFFAOYSA-N
Compound name
2-[(3-chlorophenyl)methyl]-9-hydroxy-4-propan-2-ylpyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

344.09277 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.100046 177.1
[M+Na]+ 367.081988 189.0
[M-H]- 343.085494 181.8
[M+NH4]+ 362.126593 189.6
[M+K]+ 383.055928 182.1
[M+H-H2O]+ 327.090030 168.6
[M+HCOO]- 389.090971 190.9
[M+CH3COO]- 403.106621 211.2
[M+Na-2H]- 365.067436 179.9
[M]+ 344.09222142 182.3
[M]- 344.09331858 182.3
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