CID 177799913

1-(tert-butoxycarbonyl)-1,2,3,4-tetrahydro-1,7-naphthyridine-6-carboxylic acid

Structural Information

Molecular Formula
C14H18N2O4
SMILES
CC(C)(C)OC(=O)N1CCCC2=CC(=NC=C21)C(=O)O
InChI
InChI=1S/C14H18N2O4/c1-14(2,3)20-13(19)16-6-4-5-9-7-10(12(17)18)15-8-11(9)16/h7-8H,4-6H2,1-3H3,(H,17,18)
InChIKey
ZCSAQJZMLYXXTA-UHFFFAOYSA-N
Compound name
1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-1,7-naphthyridine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.12665 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.133926 164.0
[M+Na]+ 301.115868 170.3
[M-H]- 277.119374 164.1
[M+NH4]+ 296.160473 177.7
[M+K]+ 317.089808 168.4
[M+H-H2O]+ 261.123910 156.8
[M+HCOO]- 323.124851 177.3
[M+CH3COO]- 337.140501 196.5
[M+Na-2H]- 299.101316 167.8
[M]+ 278.12610142 164.0
[M]- 278.12719858 164.0
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.