CID 54683280

Schembl4330602

Structural Information

Molecular Formula
C24H20ClN3O4
SMILES
CN(CC1=CC=CC=C1)C(=O)C2=CN3C=CN(C(=O)C3=C(C2=O)O)CC4=CC(=CC=C4)Cl
InChI
InChI=1S/C24H20ClN3O4/c1-26(13-16-6-3-2-4-7-16)23(31)19-15-27-10-11-28(14-17-8-5-9-18(25)12-17)24(32)20(27)22(30)21(19)29/h2-12,15,30H,13-14H2,1H3
InChIKey
ITIDSXQABHSVFW-UHFFFAOYSA-N
Compound name
N-benzyl-2-[(3-chlorophenyl)methyl]-9-hydroxy-N-methyl-1,8-dioxopyrido[1,2-a]pyrazine-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

449.11423 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.12151 205.2
[M+Na]+ 472.10345 214.5
[M-H]- 448.10695 213.6
[M+NH4]+ 467.14805 212.5
[M+K]+ 488.07739 207.9
[M+H-H2O]+ 432.11149 193.7
[M+HCOO]- 494.11243 219.7
[M+CH3COO]- 508.12808 214.1
[M+Na-2H]- 470.08890 207.2
[M]+ 449.11368 210.9
[M]- 449.11478 210.9
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