CID 54705440

Schembl4330956

Structural Information

Molecular Formula
C20H20ClN3O4
SMILES
CC(C)CNC(=O)C1=CN2C=CN(C(=O)C2=C(C1=O)O)CC3=CC(=CC=C3)Cl
InChI
InChI=1S/C20H20ClN3O4/c1-12(2)9-22-19(27)15-11-23-6-7-24(10-13-4-3-5-14(21)8-13)20(28)16(23)18(26)17(15)25/h3-8,11-12,26H,9-10H2,1-2H3,(H,22,27)
InChIKey
FOKNDIGSHKBUAP-UHFFFAOYSA-N
Compound name
2-[(3-chlorophenyl)methyl]-9-hydroxy-N-(2-methylpropyl)-1,8-dioxopyrido[1,2-a]pyrazine-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

401.11423 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.12151 191.7
[M+Na]+ 424.10345 201.5
[M-H]- 400.10695 196.2
[M+NH4]+ 419.14805 201.3
[M+K]+ 440.07739 195.2
[M+H-H2O]+ 384.11149 182.8
[M+HCOO]- 446.11243 205.2
[M+CH3COO]- 460.12808 224.1
[M+Na-2H]- 422.08890 193.1
[M]+ 401.11368 197.1
[M]- 401.11478 197.1
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