CID 91811778

1955541-47-5

Structural Information

Molecular Formula
C16H23N3O4
SMILES
CC(C)(C)OC(=O)NC1CCN(CC1)C2=NC=CC(=C2)C(=O)O
InChI
InChI=1S/C16H23N3O4/c1-16(2,3)23-15(22)18-12-5-8-19(9-6-12)13-10-11(14(20)21)4-7-17-13/h4,7,10,12H,5-6,8-9H2,1-3H3,(H,18,22)(H,20,21)
InChIKey
JYAVXUYLVORZTP-UHFFFAOYSA-N
Compound name
2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.16885 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.17613 176.1
[M+Na]+ 344.15807 179.5
[M-H]- 320.16157 178.0
[M+NH4]+ 339.20267 186.2
[M+K]+ 360.13201 177.4
[M+H-H2O]+ 304.16611 167.4
[M+HCOO]- 366.16705 190.0
[M+CH3COO]- 380.18270 206.3
[M+Na-2H]- 342.14352 177.8
[M]+ 321.16830 173.2
[M]- 321.16940 173.2
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.