CID 11242906

259809-49-9

Structural Information

Molecular Formula
C14H18N2O4
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1)C=CC(=N2)C(=O)O
InChI
InChI=1S/C14H18N2O4/c1-14(2,3)20-13(19)16-7-6-10-9(8-16)4-5-11(15-10)12(17)18/h4-5H,6-8H2,1-3H3,(H,17,18)
InChIKey
KZYADRMOXPGAPM-UHFFFAOYSA-N
Compound name
6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-1,6-naphthyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

278.12665 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.13393 164.0
[M+Na]+ 301.11587 170.3
[M-H]- 277.11937 164.1
[M+NH4]+ 296.16047 177.7
[M+K]+ 317.08981 168.4
[M+H-H2O]+ 261.12391 156.8
[M+HCOO]- 323.12485 177.3
[M+CH3COO]- 337.14050 196.5
[M+Na-2H]- 299.10132 167.8
[M]+ 278.12610 164.0
[M]- 278.12720 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

patents stripe