CID 5342306

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

Structural Information

Molecular Formula
C17H18N4O4
SMILES
CCOC1=CC=C(C=C1)NCC(=O)N/N=C/C2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C17H18N4O4/c1-2-25-16-8-6-14(7-9-16)18-12-17(22)20-19-11-13-4-3-5-15(10-13)21(23)24/h3-11,18H,2,12H2,1H3,(H,20,22)/b19-11+
InChIKey
QEKOQLLIDDVZHB-YBFXNURJSA-N
Compound name
2-(4-ethoxyanilino)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.1328 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.140076 176.5
[M+Na]+ 365.122018 179.6
[M-H]- 341.125524 183.9
[M+NH4]+ 360.166623 188.0
[M+K]+ 381.095958 172.8
[M+H-H2O]+ 325.130060 171.1
[M+HCOO]- 387.131001 204.9
[M+CH3COO]- 401.146651 213.9
[M+Na-2H]- 363.107466 183.5
[M]+ 342.13225142 176.2
[M]- 342.13334858 176.2
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.