CID 2315355

N'-(4-(benzyloxy)-3-methoxybenzylidene)-4-nitrobenzohydrazide

Structural Information

Molecular Formula
C22H19N3O5
SMILES
COC1=C(C=CC(=C1)C=NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])OCC3=CC=CC=C3
InChI
InChI=1S/C22H19N3O5/c1-29-21-13-17(7-12-20(21)30-15-16-5-3-2-4-6-16)14-23-24-22(26)18-8-10-19(11-9-18)25(27)28/h2-14H,15H2,1H3,(H,24,26)
InChIKey
WNTRJTISAOWZOE-UHFFFAOYSA-N
Compound name
N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.13248 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.13976 195.4
[M+Na]+ 428.12170 209.2
[M+NH4]+ 423.16630 201.4
[M+K]+ 444.09564 203.9
[M-H]- 404.12520 203.3
[M+Na-2H]- 426.10715 205.0
[M]+ 405.13193 199.4
[M]- 405.13303 199.4
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.