CID 9678529

N'-(3-nitrobenzylidene)-2-(4-propylphenoxy)acetohydrazide

Structural Information

Molecular Formula
C18H19N3O4
SMILES
CCCC1=CC=C(C=C1)OCC(=O)N/N=C/C2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C18H19N3O4/c1-2-4-14-7-9-17(10-8-14)25-13-18(22)20-19-12-15-5-3-6-16(11-15)21(23)24/h3,5-12H,2,4,13H2,1H3,(H,20,22)/b19-12+
InChIKey
PTANGUGTAKKRLB-XDHOZWIPSA-N
Compound name
N-[(E)-(3-nitrophenyl)methylideneamino]-2-(4-propylphenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.13754 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.14482 179.6
[M+Na]+ 364.12676 183.2
[M-H]- 340.13026 186.9
[M+NH4]+ 359.17136 191.5
[M+K]+ 380.10070 176.1
[M+H-H2O]+ 324.13480 174.4
[M+HCOO]- 386.13574 206.7
[M+CH3COO]- 400.15139 211.8
[M+Na-2H]- 362.11221 185.3
[M]+ 341.13699 180.4
[M]- 341.13809 180.4
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.