CID 137949294

2138348-91-9

Structural Information

Molecular Formula
C14H18N2O5
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1)C(=CC(=O)N2)C(=O)O
InChI
InChI=1S/C14H18N2O5/c1-14(2,3)21-13(20)16-5-4-10-9(7-16)8(12(18)19)6-11(17)15-10/h6H,4-5,7H2,1-3H3,(H,15,17)(H,18,19)
InChIKey
LTYHIRYZPFCUHY-UHFFFAOYSA-N
Compound name
6-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.12158 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.128856 166.0
[M+Na]+ 317.110798 172.8
[M-H]- 293.114304 165.1
[M+NH4]+ 312.155403 178.5
[M+K]+ 333.084738 170.2
[M+H-H2O]+ 277.118840 159.3
[M+HCOO]- 339.119781 178.1
[M+CH3COO]- 353.135431 197.1
[M+Na-2H]- 315.096246 168.8
[M]+ 294.12103142 165.3
[M]- 294.12212858 165.3
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

No patent data available for this compound.