CID 54683580

Schembl4328887

Structural Information

Molecular Formula
C19H16ClN3O5
SMILES
CC(=O)CNC(=O)C1=CN2C=CN(C(=O)C2=C(C1=O)O)CC3=CC(=CC=C3)Cl
InChI
InChI=1S/C19H16ClN3O5/c1-11(24)8-21-18(27)14-10-22-5-6-23(9-12-3-2-4-13(20)7-12)19(28)15(22)17(26)16(14)25/h2-7,10,26H,8-9H2,1H3,(H,21,27)
InChIKey
ROHJOBOAXMJYTJ-UHFFFAOYSA-N
Compound name
2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxo-N-(2-oxopropyl)pyrido[1,2-a]pyrazine-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

401.07785 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.08513 188.4
[M+Na]+ 424.06707 198.6
[M-H]- 400.07057 193.0
[M+NH4]+ 419.11167 197.7
[M+K]+ 440.04101 192.7
[M+H-H2O]+ 384.07511 179.5
[M+HCOO]- 446.07605 202.6
[M+CH3COO]- 460.09170 222.8
[M+Na-2H]- 422.05252 190.5
[M]+ 401.07730 194.1
[M]- 401.07840 194.1
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