CID 9670156

2-(4-butylphenoxy)-n'-{4-nitrobenzylidene}acetohydrazide

Structural Information

Molecular Formula
C19H21N3O4
SMILES
CCCCC1=CC=C(C=C1)OCC(=O)N/N=C/C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C19H21N3O4/c1-2-3-4-15-7-11-18(12-8-15)26-14-19(23)21-20-13-16-5-9-17(10-6-16)22(24)25/h5-13H,2-4,14H2,1H3,(H,21,23)/b20-13+
InChIKey
AJPUFXBGAAAQBW-DEDYPNTBSA-N
Compound name
2-(4-butylphenoxy)-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.1532 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.16048 184.1
[M+Na]+ 378.14242 195.8
[M+NH4]+ 373.18702 190.0
[M+K]+ 394.11636 191.0
[M-H]- 354.14592 189.7
[M+Na-2H]- 376.12787 191.1
[M]+ 355.15265 187.0
[M]- 355.15375 187.0
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.