CID 9644496

2-(4-butoxyphenoxy)-n'-(3-nitrobenzylidene)acetohydrazide

Structural Information

Molecular Formula
C19H21N3O5
SMILES
CCCCOC1=CC=C(C=C1)OCC(=O)N/N=C/C2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C19H21N3O5/c1-2-3-11-26-17-7-9-18(10-8-17)27-14-19(23)21-20-13-15-5-4-6-16(12-15)22(24)25/h4-10,12-13H,2-3,11,14H2,1H3,(H,21,23)/b20-13+
InChIKey
JIXWUHUEIZELLH-DEDYPNTBSA-N
Compound name
2-(4-butoxyphenoxy)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.14813 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.15541 186.8
[M+Na]+ 394.13735 198.1
[M+NH4]+ 389.18195 192.2
[M+K]+ 410.11129 193.8
[M-H]- 370.14085 191.9
[M+Na-2H]- 392.12280 193.4
[M]+ 371.14758 189.4
[M]- 371.14868 189.4
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.