CID 5342306

2-(4-ethoxyanilino)-n-[(e)-(3-nitrophenyl)methylideneamino]acetamide

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]+ 343.14008 178.6
[M+Na]+ 365.12202 189.5
[M+NH4]+ 360.16662 184.4
[M+K]+ 381.09596 185.6
[M-H]- 341.12552 184.6
[M+Na-2H]- 363.10747 185.9
[M]+ 342.13225 181.4
[M]- 342.13335 181.4
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.