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]+ 343.14008 176.5
[M+Na]+ 365.12202 179.6
[M-H]- 341.12552 183.9
[M+NH4]+ 360.16662 188.0
[M+K]+ 381.09596 172.8
[M+H-H2O]+ 325.13006 171.1
[M+HCOO]- 387.13100 204.9
[M+CH3COO]- 401.14665 213.9
[M+Na-2H]- 363.10747 183.5
[M]+ 342.13225 176.2
[M]- 342.13335 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.