CID 54683492

Schembl4326138

Structural Information

Molecular Formula
C17H16Cl2N2O3
SMILES
CC1(CN(C(=O)C2=C(C(=O)C=CN21)O)CC3=CC(=C(C=C3)Cl)Cl)C
InChI
InChI=1S/C17H16Cl2N2O3/c1-17(2)9-20(8-10-3-4-11(18)12(19)7-10)16(24)14-15(23)13(22)5-6-21(14)17/h3-7,23H,8-9H2,1-2H3
InChIKey
FDQKIYOJFMKSGS-UHFFFAOYSA-N
Compound name
2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-4,4-dimethyl-3H-pyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

366.0538 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.06108 177.8
[M+Na]+ 389.04302 190.5
[M-H]- 365.04652 181.7
[M+NH4]+ 384.08762 192.1
[M+K]+ 405.01696 183.3
[M+H-H2O]+ 349.05106 170.6
[M+HCOO]- 411.05200 185.1
[M+CH3COO]- 425.06765 212.9
[M+Na-2H]- 387.02847 180.1
[M]+ 366.05325 182.3
[M]- 366.05435 182.3
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