CID 54683504

Schembl4318857

Structural Information

Molecular Formula
C18H18Cl2N2O3
SMILES
CC(C)C1CN(C(=O)C2=C(C(=O)C=CN12)O)CC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C18H18Cl2N2O3/c1-10(2)14-9-21(8-11-3-4-12(19)13(20)7-11)18(25)16-17(24)15(23)5-6-22(14)16/h3-7,10,14,24H,8-9H2,1-2H3
InChIKey
CKTYEOGKKKNDKB-UHFFFAOYSA-N
Compound name
2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-4-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

380.06946 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.07674 183.3
[M+Na]+ 403.05868 194.3
[M-H]- 379.06218 186.7
[M+NH4]+ 398.10328 195.0
[M+K]+ 419.03262 187.1
[M+H-H2O]+ 363.06672 175.7
[M+HCOO]- 425.06766 189.2
[M+CH3COO]- 439.08331 217.1
[M+Na-2H]- 401.04413 182.8
[M]+ 380.06891 187.4
[M]- 380.07001 187.4
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