CID 70700429

1245645-20-8

Structural Information

Molecular Formula
C14H18N2O4
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1)N=CC(=C2)C(=O)O
InChI
InChI=1S/C14H18N2O4/c1-14(2,3)20-13(19)16-5-4-9-6-10(12(17)18)7-15-11(9)8-16/h6-7H,4-5,8H2,1-3H3,(H,17,18)
InChIKey
BOVSVMCJRLZPAW-UHFFFAOYSA-N
Compound name
7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

278.12665 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.13393 162.9
[M+Na]+ 301.11587 172.8
[M+NH4]+ 296.16047 168.1
[M+K]+ 317.08981 169.6
[M-H]- 277.11937 161.2
[M+Na-2H]- 299.10132 165.4
[M]+ 278.12610 163.5
[M]- 278.12720 163.5
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