CID 54683411

Schembl4326145

Structural Information

Molecular Formula
C19H20Cl2N2O4
SMILES
CC(C)C(C1=CC(=O)C(=C2N1CCN(C2=O)CC3=CC(=C(C=C3)Cl)Cl)O)O
InChI
InChI=1S/C19H20Cl2N2O4/c1-10(2)17(25)14-8-15(24)18(26)16-19(27)22(5-6-23(14)16)9-11-3-4-12(20)13(21)7-11/h3-4,7-8,10,17,25-26H,5-6,9H2,1-2H3
InChIKey
WILYJJSBWGBTND-UHFFFAOYSA-N
Compound name
2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-6-(1-hydroxy-2-methylpropyl)-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

410.08002 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.08730 188.4
[M+Na]+ 433.06924 198.0
[M-H]- 409.07274 190.6
[M+NH4]+ 428.11384 198.0
[M+K]+ 449.04318 191.3
[M+H-H2O]+ 393.07728 181.3
[M+HCOO]- 455.07822 191.8
[M+CH3COO]- 469.09387 221.0
[M+Na-2H]- 431.05469 186.3
[M]+ 410.07947 192.1
[M]- 410.08057 192.1
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