CID 54683639

Schembl4318997

Structural Information

Molecular Formula
C20H20ClN3O5
SMILES
CN(CCOC)C(=O)C1=CN2C=CN(C(=O)C2=C(C1=O)O)CC3=CC(=CC=C3)Cl
InChI
InChI=1S/C20H20ClN3O5/c1-22(8-9-29-2)19(27)15-12-23-6-7-24(11-13-4-3-5-14(21)10-13)20(28)16(23)18(26)17(15)25/h3-7,10,12,26H,8-9,11H2,1-2H3
InChIKey
KVNKQYRRZVBIGP-UHFFFAOYSA-N
Compound name
2-[(3-chlorophenyl)methyl]-9-hydroxy-N-(2-methoxyethyl)-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

417.10916 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.11644 193.8
[M+Na]+ 440.09838 203.7
[M-H]- 416.10188 199.6
[M+NH4]+ 435.14298 203.2
[M+K]+ 456.07232 199.0
[M+H-H2O]+ 400.10642 184.2
[M+HCOO]- 462.10736 208.9
[M+CH3COO]- 476.12301 228.5
[M+Na-2H]- 438.08383 195.8
[M]+ 417.10861 202.3
[M]- 417.10971 202.3
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