CID 165730379

1-({1-[(tert-butoxy)carbonyl]azetidin-3-yl}methyl)-2-oxo-1,2-dihydropyridine-4-carboxylic acid

Structural Information

Molecular Formula

C₁₅H₂₀N₂O₅

SMILES

CC(C)(C)OC(=O)N1CC(C1)CN2C=CC(=CC2=O)C(=O)O

InChI

InChI=1S/C15H20N2O5/c1-15(2,3)22-14(21)17-8-10(9-17)7-16-5-4-11(13(19)20)6-12(16)18/h4-6,10H,7-9H2,1-3H3,(H,19,20)

InChIKey

JEJSHYVAWZICRS-UHFFFAOYSA-N

Compound name

1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methyl]-2-oxopyridine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 308.1372 Da
Monoisotopic Mass: 0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	309.144476	171.5
[M+Na]+	331.126418	176.6
[M-H]-	307.129924	174.0
[M+NH4]+	326.171023	176.5
[M+K]+	347.100358	178.2
[M+H-H2O]+	291.134460	158.1
[M+HCOO]-	353.135401	185.9
[M+CH3COO]-	367.151051	204.8
[M+Na-2H]-	329.111866	171.9
[M]+	308.13665142	182.3
[M]-	308.13774858	182.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.