CID 54704311

Schembl4318944

Structural Information

Molecular Formula
C19H20Cl2N2O3
SMILES
CCCCC1CN(C(=O)C2=C(C(=O)C=CN12)O)CC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C19H20Cl2N2O3/c1-2-3-4-13-11-22(10-12-5-6-14(20)15(21)9-12)19(26)17-18(25)16(24)7-8-23(13)17/h5-9,13,25H,2-4,10-11H2,1H3
InChIKey
ILUIMAPBACWUOF-UHFFFAOYSA-N
Compound name
4-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

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.09236 189.2
[M+Na]+ 417.07430 200.0
[M-H]- 393.07780 192.2
[M+NH4]+ 412.11890 200.3
[M+K]+ 433.04824 192.0
[M+H-H2O]+ 377.08234 181.0
[M+HCOO]- 439.08328 195.6
[M+CH3COO]- 453.09893 219.1
[M+Na-2H]- 415.05975 189.1
[M]+ 394.08453 194.0
[M]- 394.08563 194.0
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