CID 21157581

303104-12-3

Structural Information

Molecular Formula
C13H16N4O2
SMILES
CC(C)C1=CC(=NN1)C(=O)N/N=C(\C)/C2=CC=CO2
InChI
InChI=1S/C13H16N4O2/c1-8(2)10-7-11(16-15-10)13(18)17-14-9(3)12-5-4-6-19-12/h4-8H,1-3H3,(H,15,16)(H,17,18)/b14-9+
InChIKey
UKVGXSWHWMKYFJ-NTEUORMPSA-N
Compound name
N-[(E)-1-(furan-2-yl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

260.12732 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.13460 159.9
[M+Na]+ 283.11654 168.6
[M+NH4]+ 278.16114 165.2
[M+K]+ 299.09048 169.0
[M-H]- 259.12004 162.4
[M+Na-2H]- 281.10199 164.6
[M]+ 260.12677 161.3
[M]- 260.12787 161.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.