CID 135643120

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

Structural Information

Molecular Formula
C16H15N3O5
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])O
InChI
InChI=1S/C16H15N3O5/c1-2-24-15-8-11(6-7-14(15)20)10-17-18-16(21)12-4-3-5-13(9-12)19(22)23/h3-10,20H,2H2,1H3,(H,18,21)/b17-10+
InChIKey
MDNZUZNLDQRRQR-LICLKQGHSA-N
Compound name
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-3-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]+ 330.10845 172.4
[M+Na]+ 352.09039 177.1
[M-H]- 328.09389 179.1
[M+NH4]+ 347.13499 184.3
[M+K]+ 368.06433 170.4
[M+H-H2O]+ 312.09843 167.8
[M+HCOO]- 374.09937 198.9
[M+CH3COO]- 388.11502 206.6
[M+Na-2H]- 350.07584 178.4
[M]+ 329.10062 172.4
[M]- 329.10172 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.