CID 54705349

Schembl14129837

Structural Information

Molecular Formula
C19H14Cl2N4O3
SMILES
C1CN(C(=O)C2=C(C(=O)C(=CN21)C3=NC=CN=C3)O)CC4=CC(=C(C=C4)Cl)Cl
InChI
InChI=1S/C19H14Cl2N4O3/c20-13-2-1-11(7-14(13)21)9-25-6-5-24-10-12(15-8-22-3-4-23-15)17(26)18(27)16(24)19(25)28/h1-4,7-8,10,27H,5-6,9H2
InChIKey
UAGFEGZNGDBRHC-UHFFFAOYSA-N
Compound name
2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-7-pyrazin-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

416.04428 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.05156 194.2
[M+Na]+ 439.03350 205.7
[M-H]- 415.03700 197.7
[M+NH4]+ 434.07810 200.6
[M+K]+ 455.00744 197.1
[M+H-H2O]+ 399.04154 182.3
[M+HCOO]- 461.04248 198.6
[M+CH3COO]- 475.05813 202.2
[M+Na-2H]- 437.01895 196.1
[M]+ 416.04373 197.1
[M]- 416.04483 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