CID 6872301

3-(3-ethoxyphenyl)-n'-(2-furylmethylene)-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C17H16N4O3
SMILES
CCOC1=CC=CC(=C1)C2=NNC(=C2)C(=O)N/N=C/C3=CC=CO3
InChI
InChI=1S/C17H16N4O3/c1-2-23-13-6-3-5-12(9-13)15-10-16(20-19-15)17(22)21-18-11-14-7-4-8-24-14/h3-11H,2H2,1H3,(H,19,20)(H,21,22)/b18-11+
InChIKey
GCJQNNAPVZJVRT-WOJGMQOQSA-N
Compound name
3-(3-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 172.6
[M+Na]+ 347.11147 179.9
[M-H]- 323.11497 181.6
[M+NH4]+ 342.15607 185.2
[M+K]+ 363.08541 176.9
[M+H-H2O]+ 307.11951 162.9
[M+HCOO]- 369.12045 198.8
[M+CH3COO]- 383.13610 208.5
[M+Na-2H]- 345.09692 176.4
[M]+ 324.12170 176.3
[M]- 324.12280 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.