CID 54705445

Schembl4328067

Structural Information

Molecular Formula
C23H18ClN3O4
SMILES
C1=CC=C(C=C1)CC(=O)NC2=CN3C=CN(C(=O)C3=C(C2=O)O)CC4=CC(=CC=C4)Cl
InChI
InChI=1S/C23H18ClN3O4/c24-17-8-4-7-16(11-17)13-27-10-9-26-14-18(21(29)22(30)20(26)23(27)31)25-19(28)12-15-5-2-1-3-6-15/h1-11,14,30H,12-13H2,(H,25,28)
InChIKey
IBICHYHCFLGESX-UHFFFAOYSA-N
Compound name
N-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

435.09857 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.10585 201.4
[M+Na]+ 458.08779 211.1
[M-H]- 434.09129 208.6
[M+NH4]+ 453.13239 208.8
[M+K]+ 474.06173 203.4
[M+H-H2O]+ 418.09583 190.3
[M+HCOO]- 480.09677 215.8
[M+CH3COO]- 494.11242 210.2
[M+Na-2H]- 456.07324 204.6
[M]+ 435.09802 205.6
[M]- 435.09912 205.6
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