CID 6864219

303108-03-4

Structural Information

Molecular Formula

C₁₂H₁₄N₄O₂

SMILES

CC(C)C1=CC(=NN1)C(=O)N/N=C/C2=CC=CO2

InChI

InChI=1S/C12H14N4O2/c1-8(2)10-6-11(15-14-10)12(17)16-13-7-9-4-3-5-18-9/h3-8H,1-2H3,(H,14,15)(H,16,17)/b13-7+

InChIKey

XRMAKMJMCXXXJL-NTUHNPAUSA-N

Compound name

N-[(E)-furan-2-ylmethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 1
Patents: 246.11168 Da
Monoisotopic Mass: 2.0
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]+	247.11896	155.5
[M+Na]+	269.10090	162.7
[M-H]-	245.10440	161.2
[M+NH4]+	264.14550	171.5
[M+K]+	285.07484	161.3
[M+H-H2O]+	229.10894	146.9
[M+HCOO]-	291.10988	180.8
[M+CH3COO]-	305.12553	195.2
[M+Na-2H]-	267.08635	159.0
[M]+	246.11113	157.4
[M]-	246.11223	157.4

Literature stripe

literature stripe

Patent stripe

patents stripe