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]+ 261.134596 160.9
[M+Na]+ 283.116538 167.4
[M-H]- 259.120044 166.6
[M+NH4]+ 278.161143 176.3
[M+K]+ 299.090478 166.3
[M+H-H2O]+ 243.124580 152.3
[M+HCOO]- 305.125521 184.9
[M+CH3COO]- 319.141171 199.1
[M+Na-2H]- 281.101986 162.7
[M]+ 260.12677142 162.6
[M]- 260.12786858 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.