CID 54683527

Schembl4323136

Structural Information

Molecular Formula
C16H14Cl2N2O3
SMILES
CN1C=C2CCN(C(=O)C2=C(C1=O)O)CC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C16H14Cl2N2O3/c1-19-8-10-4-5-20(15(22)13(10)14(21)16(19)23)7-9-2-3-11(17)12(18)6-9/h2-3,6,8,21H,4-5,7H2,1H3
InChIKey
OXRKQUVHGHJDKC-UHFFFAOYSA-N
Compound name
2-[(3,4-dichlorophenyl)methyl]-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

352.03815 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.04543 175.7
[M+Na]+ 375.02737 187.9
[M-H]- 351.03087 179.4
[M+NH4]+ 370.07197 188.6
[M+K]+ 391.00131 180.6
[M+H-H2O]+ 335.03541 168.2
[M+HCOO]- 397.03635 183.2
[M+CH3COO]- 411.05200 186.3
[M+Na-2H]- 373.01282 177.2
[M]+ 352.03760 179.6
[M]- 352.03870 179.6
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