CID 5335285

2-(4-(benzyloxy)phenoxy)-n'-(3-nitrobenzylidene)acetohydrazide

Structural Information

Molecular Formula
C22H19N3O5
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)OCC(=O)N/N=C/C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C22H19N3O5/c26-22(24-23-14-18-7-4-8-19(13-18)25(27)28)16-30-21-11-9-20(10-12-21)29-15-17-5-2-1-3-6-17/h1-14H,15-16H2,(H,24,26)/b23-14+
InChIKey
DRYQCIJRGYWMNM-OEAKJJBVSA-N
Compound name
N-[(E)-(3-nitrophenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.13248 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.13976 194.4
[M+Na]+ 428.12170 196.6
[M-H]- 404.12520 204.3
[M+NH4]+ 423.16630 202.6
[M+K]+ 444.09564 189.0
[M+H-H2O]+ 388.12974 187.1
[M+HCOO]- 450.13068 221.1
[M+CH3COO]- 464.14633 222.0
[M+Na-2H]- 426.10715 200.8
[M]+ 405.13193 194.9
[M]- 405.13303 194.9
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.