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]+ 325.12953 175.0
[M+Na]+ 347.11147 186.5
[M+NH4]+ 342.15607 180.5
[M+K]+ 363.08541 184.6
[M-H]- 323.11497 180.3
[M+Na-2H]- 345.09692 182.8
[M]+ 324.12170 177.8
[M]- 324.12280 177.8
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.