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 160.9
[M+Na]+ 283.11654 167.4
[M-H]- 259.12004 166.6
[M+NH4]+ 278.16114 176.3
[M+K]+ 299.09048 166.3
[M+H-H2O]+ 243.12458 152.3
[M+HCOO]- 305.12552 184.9
[M+CH3COO]- 319.14117 199.1
[M+Na-2H]- 281.10199 162.7
[M]+ 260.12677 162.6
[M]- 260.12787 162.6
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.