CID 54705391

Schembl14129831

Structural Information

Molecular Formula
C23H19ClN2O3
SMILES
CC1=C(C(=CC=C1)C)C2=CN3C=CN(C(=O)C3=C(C2=O)O)CC4=CC(=CC=C4)Cl
InChI
InChI=1S/C23H19ClN2O3/c1-14-5-3-6-15(2)19(14)18-13-25-9-10-26(12-16-7-4-8-17(24)11-16)23(29)20(25)22(28)21(18)27/h3-11,13,28H,12H2,1-2H3
InChIKey
YFSZXUTXLGPLNU-UHFFFAOYSA-N
Compound name
2-[(3-chlorophenyl)methyl]-7-(2,6-dimethylphenyl)-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

406.10843 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.11571 197.8
[M+Na]+ 429.09765 210.5
[M-H]- 405.10115 205.6
[M+NH4]+ 424.14225 207.5
[M+K]+ 445.07159 201.9
[M+H-H2O]+ 389.10569 187.0
[M+HCOO]- 451.10663 211.6
[M+CH3COO]- 465.12228 207.9
[M+Na-2H]- 427.08310 199.5
[M]+ 406.10788 203.2
[M]- 406.10898 203.2
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.