CID 135770357

126268-13-1

Structural Information

Molecular Formula

C₁₄H₂₀N₄O₂

SMILES

C1CCN(CC1)CC2COC(=O)N2/N=C/C3=CC=CN3

InChI

InChI=1S/C14H20N4O2/c19-14-18(16-9-12-5-4-6-15-12)13(11-20-14)10-17-7-2-1-3-8-17/h4-6,9,13,15H,1-3,7-8,10-11H2/b16-9+

InChIKey

XJXAYVLPUFXYEA-CXUHLZMHSA-N

Compound name

4-(piperidin-1-ylmethyl)-3-[(E)-1H-pyrrol-2-ylmethylideneamino]-1,3-oxazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 276.15863 Da
Monoisotopic Mass: 1.6
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]+	277.165906	164.5
[M+Na]+	299.147848	168.5
[M-H]-	275.151354	169.9
[M+NH4]+	294.192453	177.6
[M+K]+	315.121788	165.9
[M+H-H2O]+	259.155890	154.5
[M+HCOO]-	321.156831	181.5
[M+CH3COO]-	335.172481	174.1
[M+Na-2H]-	297.133296	163.9
[M]+	276.15808142	159.1
[M]-	276.15917858	159.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.