CID 54683358

Schembl14129945

Structural Information

Molecular Formula
C22H17ClN4O4
SMILES
C1=CC=NC(=C1)CC(=O)NC2=CN3C=CN(C(=O)C3=C(C2=O)O)CC4=CC(=CC=C4)Cl
InChI
InChI=1S/C22H17ClN4O4/c23-15-5-3-4-14(10-15)12-27-9-8-26-13-17(20(29)21(30)19(26)22(27)31)25-18(28)11-16-6-1-2-7-24-16/h1-10,13,30H,11-12H2,(H,25,28)
InChIKey
FDHOMJIODZGCGP-UHFFFAOYSA-N
Compound name
N-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]-2-pyridin-2-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

436.09384 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.10112 201.2
[M+Na]+ 459.08306 211.3
[M-H]- 435.08656 207.2
[M+NH4]+ 454.12766 207.1
[M+K]+ 475.05700 203.4
[M+H-H2O]+ 419.09110 189.4
[M+HCOO]- 481.09204 214.5
[M+CH3COO]- 495.10769 209.6
[M+Na-2H]- 457.06851 205.1
[M]+ 436.09329 205.4
[M]- 436.09439 205.4
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

patents stripe