CID 54683662

Schembl4330829

Structural Information

Molecular Formula
C17H16Cl2N2O4
SMILES
CC(C1=CC(=O)C(=C2N1CCN(C2=O)CC3=CC(=C(C=C3)Cl)Cl)O)O
InChI
InChI=1S/C17H16Cl2N2O4/c1-9(22)13-7-14(23)16(24)15-17(25)20(4-5-21(13)15)8-10-2-3-11(18)12(19)6-10/h2-3,6-7,9,22,24H,4-5,8H2,1H3
InChIKey
LZJXFNAAHSVUKE-UHFFFAOYSA-N
Compound name
2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-6-(1-hydroxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

382.0487 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.05598 181.0
[M+Na]+ 405.03792 191.8
[M-H]- 381.04142 183.5
[M+NH4]+ 400.08252 191.9
[M+K]+ 421.01186 184.9
[M+H-H2O]+ 365.04596 174.0
[M+HCOO]- 427.04690 186.1
[M+CH3COO]- 441.06255 214.3
[M+Na-2H]- 403.02337 180.9
[M]+ 382.04815 184.5
[M]- 382.04925 184.5
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