CID 51060465

N-(2-(2-(2-(benzyloxy)-5-bromobenzylidene)hydrazino)-2-oxoethyl)-3,4-dimethoxybenzamide

Structural Information

Molecular Formula
C25H24BrN3O5
SMILES
COC1=C(C=C(C=C1)C(=O)NCC(=O)N/N=C/C2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)OC
InChI
InChI=1S/C25H24BrN3O5/c1-32-22-10-8-18(13-23(22)33-2)25(31)27-15-24(30)29-28-14-19-12-20(26)9-11-21(19)34-16-17-6-4-3-5-7-17/h3-14H,15-16H2,1-2H3,(H,27,31)(H,29,30)/b28-14+
InChIKey
WEZUCGPXXHICMX-CCVNUDIWSA-N
Compound name
N-[2-[(2E)-2-[(5-bromo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

525.0899 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 526.09718 214.5
[M+Na]+ 548.07912 219.9
[M-H]- 524.08262 226.3
[M+NH4]+ 543.12372 222.9
[M+K]+ 564.05306 209.0
[M+H-H2O]+ 508.08716 207.9
[M+HCOO]- 570.08810 236.8
[M+CH3COO]- 584.10375 246.9
[M+Na-2H]- 546.06457 216.6
[M]+ 525.08935 236.7
[M]- 525.09045 236.7
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.