CID 54683620

Schembl4316090

Structural Information

Molecular Formula
C19H18ClN3O4
SMILES
CCCNC(=O)C1=CN2C=CN(C(=O)C2=C(C1=O)O)CC3=CC(=CC=C3)Cl
InChI
InChI=1S/C19H18ClN3O4/c1-2-6-21-18(26)14-11-22-7-8-23(10-12-4-3-5-13(20)9-12)19(27)15(22)17(25)16(14)24/h3-5,7-9,11,25H,2,6,10H2,1H3,(H,21,26)
InChIKey
QDUNVLDPHUXLSC-UHFFFAOYSA-N
Compound name
2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxo-N-propylpyrido[1,2-a]pyrazine-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

387.09857 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.10585 188.1
[M+Na]+ 410.08779 198.6
[M-H]- 386.09129 192.5
[M+NH4]+ 405.13239 198.3
[M+K]+ 426.06173 191.9
[M+H-H2O]+ 370.09583 179.0
[M+HCOO]- 432.09677 202.9
[M+CH3COO]- 446.11242 220.2
[M+Na-2H]- 408.07324 191.0
[M]+ 387.09802 193.6
[M]- 387.09912 193.6
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