CID 9626232

2-(4-butylphenoxy)-n'-(2-furylmethylene)acetohydrazide

Structural Information

Molecular Formula
C17H20N2O3
SMILES
CCCCC1=CC=C(C=C1)OCC(=O)N/N=C/C2=CC=CO2
InChI
InChI=1S/C17H20N2O3/c1-2-3-5-14-7-9-15(10-8-14)22-13-17(20)19-18-12-16-6-4-11-21-16/h4,6-12H,2-3,5,13H2,1H3,(H,19,20)/b18-12+
InChIKey
RSHIMEGPIUHILW-LDADJPATSA-N
Compound name
2-(4-butylphenoxy)-N-[(E)-furan-2-ylmethylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.1474 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.154676 171.9
[M+Na]+ 323.136618 176.9
[M-H]- 299.140124 180.1
[M+NH4]+ 318.181223 187.2
[M+K]+ 339.110558 175.2
[M+H-H2O]+ 283.144660 163.3
[M+HCOO]- 345.145601 198.7
[M+CH3COO]- 359.161251 208.5
[M+Na-2H]- 321.122066 176.0
[M]+ 300.14685142 176.3
[M]- 300.14794858 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.