CID 9667025

N-(2-(2-(4-(benzyloxy)benzylidene)hydrazino)-2-oxoethyl)-3-bromobenzamide

Structural Information

Molecular Formula
C23H20BrN3O3
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)/C=N/NC(=O)CNC(=O)C3=CC(=CC=C3)Br
InChI
InChI=1S/C23H20BrN3O3/c24-20-8-4-7-19(13-20)23(29)25-15-22(28)27-26-14-17-9-11-21(12-10-17)30-16-18-5-2-1-3-6-18/h1-14H,15-16H2,(H,25,29)(H,27,28)/b26-14+
InChIKey
ORFJJHPEAWKYEB-VULFUBBASA-N
Compound name
3-bromo-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

465.0688 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.07608 199.9
[M+Na]+ 488.05802 202.7
[M+NH4]+ 483.10262 202.6
[M+K]+ 504.03196 200.7
[M-H]- 464.06152 204.8
[M+Na-2H]- 486.04347 205.9
[M]+ 465.06825 200.4
[M]- 465.06935 200.4
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.