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]+ 295.12886 166.0
[M+Na]+ 317.11080 172.8
[M-H]- 293.11430 165.1
[M+NH4]+ 312.15540 178.5
[M+K]+ 333.08474 170.2
[M+H-H2O]+ 277.11884 159.3
[M+HCOO]- 339.11978 178.1
[M+CH3COO]- 353.13543 197.1
[M+Na-2H]- 315.09625 168.8
[M]+ 294.12103 165.3
[M]- 294.12213 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.