CID 54690879

Schembl4330556

Structural Information

Molecular Formula
C19H20Cl2N2O3
SMILES
CC(C)CC1=CC(=O)C(=C2N1CCN(C2=O)CC3=CC(=C(C=C3)Cl)Cl)O
InChI
InChI=1S/C19H20Cl2N2O3/c1-11(2)7-13-9-16(24)18(25)17-19(26)22(5-6-23(13)17)10-12-3-4-14(20)15(21)8-12/h3-4,8-9,11,25H,5-7,10H2,1-2H3
InChIKey
QQIDBRQEYVUOHJ-UHFFFAOYSA-N
Compound name
2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-6-(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

394.08508 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.09236 187.8
[M+Na]+ 417.07430 198.3
[M-H]- 393.07780 191.0
[M+NH4]+ 412.11890 198.9
[M+K]+ 433.04824 190.9
[M+H-H2O]+ 377.08234 180.0
[M+HCOO]- 439.08328 193.4
[M+CH3COO]- 453.09893 220.0
[M+Na-2H]- 415.05975 186.8
[M]+ 394.08453 192.2
[M]- 394.08563 192.2
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