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]+ 301.15468 171.9
[M+Na]+ 323.13662 176.9
[M-H]- 299.14012 180.1
[M+NH4]+ 318.18122 187.2
[M+K]+ 339.11056 175.2
[M+H-H2O]+ 283.14466 163.3
[M+HCOO]- 345.14560 198.7
[M+CH3COO]- 359.16125 208.5
[M+Na-2H]- 321.12207 176.0
[M]+ 300.14685 176.3
[M]- 300.14795 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.