CID 9557113

303107-82-6

Structural Information

Molecular Formula
C17H16N4O3
SMILES
CCOC1=CC=CC=C1C2=NNC(=C2)C(=O)N/N=C/C3=CC=CO3
InChI
InChI=1S/C17H16N4O3/c1-2-23-16-8-4-3-7-13(16)14-10-15(20-19-14)17(22)21-18-11-12-6-5-9-24-12/h3-11H,2H2,1H3,(H,19,20)(H,21,22)/b18-11+
InChIKey
JEMFMMCPYWQGRZ-WOJGMQOQSA-N
Compound name
3-(2-ethoxyphenyl)-N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.12225 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.129526 172.6
[M+Na]+ 347.111468 179.9
[M-H]- 323.114974 181.6
[M+NH4]+ 342.156073 185.2
[M+K]+ 363.085408 176.9
[M+H-H2O]+ 307.119510 162.9
[M+HCOO]- 369.120451 198.8
[M+CH3COO]- 383.136101 208.5
[M+Na-2H]- 345.096916 176.4
[M]+ 324.12170142 176.3
[M]- 324.12279858 176.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.