CID 54707914

Schembl14129707

Structural Information

Molecular Formula
C24H20Cl2N2O5
SMILES
C1CN2C(=CC(=O)C(=C2C(=O)N1CC3=CC(=C(C=C3)Cl)Cl)O)CC(=O)OCC4=CC=CC=C4
InChI
InChI=1S/C24H20Cl2N2O5/c25-18-7-6-16(10-19(18)26)13-27-8-9-28-17(11-20(29)23(31)22(28)24(27)32)12-21(30)33-14-15-4-2-1-3-5-15/h1-7,10-11,31H,8-9,12-14H2
InChIKey
VLVDGJKBOWCSDQ-UHFFFAOYSA-N
Compound name
benzyl 2-[2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-6-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

486.07492 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.08220 209.3
[M+Na]+ 509.06414 218.4
[M-H]- 485.06764 215.2
[M+NH4]+ 504.10874 215.5
[M+K]+ 525.03808 211.1
[M+H-H2O]+ 469.07218 198.7
[M+HCOO]- 531.07312 214.7
[M+CH3COO]- 545.08877 233.7
[M+Na-2H]- 507.04959 208.3
[M]+ 486.07437 214.9
[M]- 486.07547 214.9
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

No patent data available for this compound.