CID 9568051

Nsc 304379

Structural Information

Molecular Formula

C₁₃H₁₄N₄O₃S

SMILES

C1CCN(CC1)/N=C/C2=CSC(=N2)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O3S/c18-17(19)12-5-4-11(20-12)13-15-10(9-21-13)8-14-16-6-2-1-3-7-16/h4-5,8-9H,1-3,6-7H2/b14-8+

InChIKey

QUWXPAMGCZPVGI-RIYZIHGNSA-N

Compound name

(E)-1-[2-(5-nitrofuran-2-yl)-1,3-thiazol-4-yl]-N-piperidin-1-ylmethanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 306.07867 Da
Monoisotopic Mass: 3.3
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]+	307.085946	167.2
[M+Na]+	329.067888	173.5
[M-H]-	305.071394	177.1
[M+NH4]+	324.112493	181.3
[M+K]+	345.041828	167.3
[M+H-H2O]+	289.075930	163.2
[M+HCOO]-	351.076871	187.6
[M+CH3COO]-	365.092521	196.7
[M+Na-2H]-	327.053336	170.5
[M]+	306.07812142	166.6
[M]-	306.07921858	166.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.