CID 16492879

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

Structural Information

Molecular Formula
C25H24ClN3O5
SMILES
COC1=C(C=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CC=CC=C2OCC3=CC=C(C=C3)Cl)OC
InChI
InChI=1S/C25H24ClN3O5/c1-32-22-12-9-18(13-23(22)33-2)25(31)27-15-24(30)29-28-14-19-5-3-4-6-21(19)34-16-17-7-10-20(26)11-8-17/h3-14H,15-16H2,1-2H3,(H,27,31)(H,29,30)/b28-14+
InChIKey
SEWRAICMJRJYIO-CCVNUDIWSA-N
Compound name
N-[2-[(2E)-2-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.14044 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.14772 214.9
[M+Na]+ 504.12966 219.6
[M-H]- 480.13316 225.4
[M+NH4]+ 499.17426 222.4
[M+K]+ 520.10360 215.3
[M+H-H2O]+ 464.13770 203.9
[M+HCOO]- 526.13864 236.2
[M+CH3COO]- 540.15429 244.6
[M+Na-2H]- 502.11511 216.1
[M]+ 481.13989 222.3
[M]- 481.14099 222.3
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.