CID 51060315

N'-(2-((4-bromobenzyl)oxy)benzylidene)-3,4-dimethoxybenzohydrazide

Structural Information

Molecular Formula
C23H21BrN2O4
SMILES
COC1=C(C=C(C=C1)C(=O)N/N=C/C2=CC=CC=C2OCC3=CC=C(C=C3)Br)OC
InChI
InChI=1S/C23H21BrN2O4/c1-28-21-12-9-17(13-22(21)29-2)23(27)26-25-14-18-5-3-4-6-20(18)30-15-16-7-10-19(24)11-8-16/h3-14H,15H2,1-2H3,(H,26,27)/b25-14+
InChIKey
DZUSXYVUOUGNQZ-AFUMVMLFSA-N
Compound name
N-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.06848 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.07576 202.4
[M+Na]+ 491.05770 210.2
[M-H]- 467.06120 214.8
[M+NH4]+ 486.10230 213.8
[M+K]+ 507.03164 198.8
[M+H-H2O]+ 451.06574 197.1
[M+HCOO]- 513.06668 225.3
[M+CH3COO]- 527.08233 234.9
[M+Na-2H]- 489.04315 205.9
[M]+ 468.06793 225.0
[M]- 468.06903 225.0
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.