CID 54683283

Schembl14129978

Structural Information

Molecular Formula
C17H14Cl2N2O4
SMILES
C1=CC(=C(C=C1CN2C=C(N3C=CC(=O)C(=C3C2=O)O)CCO)Cl)Cl
InChI
InChI=1S/C17H14Cl2N2O4/c18-12-2-1-10(7-13(12)19)8-20-9-11(4-6-22)21-5-3-14(23)16(24)15(21)17(20)25/h1-3,5,7,9,22,24H,4,6,8H2
InChIKey
CZTSSCCSXOLOHJ-UHFFFAOYSA-N
Compound name
2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-4-(2-hydroxyethyl)pyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

380.03305 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.04033 180.3
[M+Na]+ 403.02227 193.3
[M-H]- 379.02577 183.3
[M+NH4]+ 398.06687 191.5
[M+K]+ 418.99621 185.5
[M+H-H2O]+ 363.03031 172.8
[M+HCOO]- 425.03125 189.0
[M+CH3COO]- 439.04690 212.7
[M+Na-2H]- 401.00772 183.0
[M]+ 380.03250 187.0
[M]- 380.03360 187.0
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