CID 165757044

1-{1-[(tert-butoxy)carbonyl]piperidin-4-yl}-2-oxo-1,2-dihydropyridine-4-carboxylic acid

Structural Information

Molecular Formula
C16H22N2O5
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)N2C=CC(=CC2=O)C(=O)O
InChI
InChI=1S/C16H22N2O5/c1-16(2,3)23-15(22)17-7-5-12(6-8-17)18-9-4-11(14(20)21)10-13(18)19/h4,9-10,12H,5-8H2,1-3H3,(H,20,21)
InChIKey
GMJAQOBUVTVCHM-UHFFFAOYSA-N
Compound name
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-oxopyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

322.15286 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.160136 173.6
[M+Na]+ 345.142078 179.0
[M-H]- 321.145584 176.0
[M+NH4]+ 340.186683 184.3
[M+K]+ 361.116018 177.0
[M+H-H2O]+ 305.150120 165.4
[M+HCOO]- 367.151061 186.8
[M+CH3COO]- 381.166711 203.9
[M+Na-2H]- 343.127526 174.3
[M]+ 322.15231142 172.7
[M]- 322.15340858 172.7
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