CID 54683663

Schembl4320892

Structural Information

Molecular Formula
C17H18N2O4
SMILES
CN1C=C2CCN(C(=O)C2=C(C1=O)O)CC3=CC(=CC=C3)OC
InChI
InChI=1S/C17H18N2O4/c1-18-10-12-6-7-19(16(21)14(12)15(20)17(18)22)9-11-4-3-5-13(8-11)23-2/h3-5,8,10,20H,6-7,9H2,1-2H3
InChIKey
GCGOUHFPGPGJEF-UHFFFAOYSA-N
Compound name
8-hydroxy-2-[(3-methoxyphenyl)methyl]-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

314.12665 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.13393 172.7
[M+Na]+ 337.11587 182.4
[M-H]- 313.11937 176.8
[M+NH4]+ 332.16047 185.2
[M+K]+ 353.08981 177.6
[M+H-H2O]+ 297.12391 163.4
[M+HCOO]- 359.12485 189.6
[M+CH3COO]- 373.14050 206.6
[M+Na-2H]- 335.10132 175.5
[M]+ 314.12610 174.4
[M]- 314.12720 174.4
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