CID 135821996

N'-(3-ethoxy-4-hydroxybenzylidene)-4-nitrobenzohydrazide

Structural Information

Molecular Formula
C16H15N3O5
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])O
InChI
InChI=1S/C16H15N3O5/c1-2-24-15-9-11(3-8-14(15)20)10-17-18-16(21)12-4-6-13(7-5-12)19(22)23/h3-10,20H,2H2,1H3,(H,18,21)/b17-10+
InChIKey
XARJZPRROODHKA-LICLKQGHSA-N
Compound name
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.10117 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.108446 172.4
[M+Na]+ 352.090388 177.1
[M-H]- 328.093894 179.1
[M+NH4]+ 347.134993 184.3
[M+K]+ 368.064328 170.4
[M+H-H2O]+ 312.098430 167.8
[M+HCOO]- 374.099371 198.9
[M+CH3COO]- 388.115021 206.6
[M+Na-2H]- 350.075836 178.4
[M]+ 329.10062142 172.4
[M]- 329.10171858 172.4
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.