CID 9669399

2-(4-nitrophenoxy)-n'-(3-phenyl-2-propenylidene)acetohydrazide

Structural Information

Molecular Formula
C17H15N3O4
SMILES
C1=CC=C(C=C1)/C=C/C=N/NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C17H15N3O4/c21-17(13-24-16-10-8-15(9-11-16)20(22)23)19-18-12-4-7-14-5-2-1-3-6-14/h1-12H,13H2,(H,19,21)/b7-4+,18-12+
InChIKey
SPTUOSYHMDJWSR-ZTKKEOLVSA-N
Compound name
2-(4-nitrophenoxy)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.10626 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.113536 174.0
[M+Na]+ 348.095478 177.5
[M-H]- 324.098984 181.2
[M+NH4]+ 343.140083 186.3
[M+K]+ 364.069418 170.0
[M+H-H2O]+ 308.103520 168.9
[M+HCOO]- 370.104461 201.6
[M+CH3COO]- 384.120111 206.1
[M+Na-2H]- 346.080926 180.9
[M]+ 325.10571142 173.3
[M]- 325.10680858 173.3
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.