CID 9595771

N-(2-(2-(4-(benzyloxy)benzylidene)hydrazino)-2-oxoethyl)-3,4-dimethoxybenzamide

Structural Information

Molecular Formula
C25H25N3O5
SMILES
COC1=C(C=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CC=C(C=C2)OCC3=CC=CC=C3)OC
InChI
InChI=1S/C25H25N3O5/c1-31-22-13-10-20(14-23(22)32-2)25(30)26-16-24(29)28-27-15-18-8-11-21(12-9-18)33-17-19-6-4-3-5-7-19/h3-15H,16-17H2,1-2H3,(H,26,30)(H,28,29)/b27-15+
InChIKey
NUSMGKRGQQJWQY-JFLMPSFJSA-N
Compound name
3,4-dimethoxy-N-[2-oxo-2-[(2E)-2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.1794 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.18668 207.2
[M+Na]+ 470.16862 210.1
[M-H]- 446.17212 217.4
[M+NH4]+ 465.21322 214.8
[M+K]+ 486.14256 207.3
[M+H-H2O]+ 430.17666 195.1
[M+HCOO]- 492.17760 232.9
[M+CH3COO]- 506.19325 239.9
[M+Na-2H]- 468.15407 209.6
[M]+ 447.17885 211.5
[M]- 447.17995 211.5
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.