CID 54683287

Schembl14129813

Structural Information

Molecular Formula
C23H19ClN2O3
SMILES
CCC1=CC=CC=C1C2=CN3C=CN(C(=O)C3=C(C2=O)O)CC4=CC(=CC=C4)Cl
InChI
InChI=1S/C23H19ClN2O3/c1-2-16-7-3-4-9-18(16)19-14-25-10-11-26(13-15-6-5-8-17(24)12-15)23(29)20(25)22(28)21(19)27/h3-12,14,28H,2,13H2,1H3
InChIKey
VWOQLAQRXYWMKM-UHFFFAOYSA-N
Compound name
2-[(3-chlorophenyl)methyl]-7-(2-ethylphenyl)-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

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.11571 197.4
[M+Na]+ 429.09765 209.2
[M-H]- 405.10115 204.8
[M+NH4]+ 424.14225 206.8
[M+K]+ 445.07159 200.5
[M+H-H2O]+ 389.10569 186.4
[M+HCOO]- 451.10663 211.2
[M+CH3COO]- 465.12228 207.2
[M+Na-2H]- 427.08310 199.8
[M]+ 406.10788 202.4
[M]- 406.10898 202.4
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.