CID 165757044

En300-6730305

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

0
Patents

322.15286 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.16014 173.6
[M+Na]+ 345.14208 179.0
[M-H]- 321.14558 176.0
[M+NH4]+ 340.18668 184.3
[M+K]+ 361.11602 177.0
[M+H-H2O]+ 305.15012 165.4
[M+HCOO]- 367.15106 186.8
[M+CH3COO]- 381.16671 203.9
[M+Na-2H]- 343.12753 174.3
[M]+ 322.15231 172.7
[M]- 322.15341 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

No patent data available for this compound.