CID 54683522

Schembl4323117

Structural Information

Molecular Formula
C17H16Cl2N2O4
SMILES
C1CN2C(=CC(=O)C(=C2C(=O)N1CC3=CC(=C(C=C3)Cl)Cl)O)CCO
InChI
InChI=1S/C17H16Cl2N2O4/c18-12-2-1-10(7-13(12)19)9-20-4-5-21-11(3-6-22)8-14(23)16(24)15(21)17(20)25/h1-2,7-8,22,24H,3-6,9H2
InChIKey
PATUGPRSBBYCKQ-UHFFFAOYSA-N
Compound name
2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-6-(2-hydroxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

382.0487 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.05598 182.4
[M+Na]+ 405.03792 193.4
[M-H]- 381.04142 184.6
[M+NH4]+ 400.08252 193.2
[M+K]+ 421.01186 186.0
[M+H-H2O]+ 365.04596 175.0
[M+HCOO]- 427.04690 188.3
[M+CH3COO]- 441.06255 213.4
[M+Na-2H]- 403.02337 183.2
[M]+ 382.04815 186.3
[M]- 382.04925 186.3
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