CID 54683458

Schembl4328582

Structural Information

Molecular Formula
C19H20Cl2N2O3
SMILES
CC(C)(C)C1=CC(=O)C(=C2N1CCN(C2=O)CC3=CC(=C(C=C3)Cl)Cl)O
InChI
InChI=1S/C19H20Cl2N2O3/c1-19(2,3)15-9-14(24)17(25)16-18(26)22(6-7-23(15)16)10-11-4-5-12(20)13(21)8-11/h4-5,8-9,25H,6-7,10H2,1-3H3
InChIKey
XFEJJCHISATLPM-UHFFFAOYSA-N
Compound name
6-tert-butyl-2-[(3,4-dichlorophenyl)methyl]-9-hydroxy-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

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.09236 190.6
[M+Na]+ 417.07430 201.8
[M-H]- 393.07780 194.2
[M+NH4]+ 412.11890 201.9
[M+K]+ 433.04824 194.5
[M+H-H2O]+ 377.08234 183.1
[M+HCOO]- 439.08328 195.5
[M+CH3COO]- 453.09893 219.0
[M+Na-2H]- 415.05975 191.5
[M]+ 394.08453 194.9
[M]- 394.08563 194.9
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