CID 51060691

2-(2-(2-(benzyloxy)-5-br-benzylidene)hydrazino)-n-(3-meo-phenyl)-2-oxoacetamide

Structural Information

Molecular Formula
C23H20BrN3O4
SMILES
COC1=CC=CC(=C1)NC(=O)C(=O)N/N=C/C2=C(C=CC(=C2)Br)OCC3=CC=CC=C3
InChI
InChI=1S/C23H20BrN3O4/c1-30-20-9-5-8-19(13-20)26-22(28)23(29)27-25-14-17-12-18(24)10-11-21(17)31-15-16-6-3-2-4-7-16/h2-14H,15H2,1H3,(H,26,28)(H,27,29)/b25-14+
InChIKey
RXNDVTRKBNCQEO-AFUMVMLFSA-N
Compound name
N'-[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-N-(3-methoxyphenyl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.06372 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.07100 203.9
[M+Na]+ 504.05294 209.8
[M-H]- 480.05644 215.8
[M+NH4]+ 499.09754 214.0
[M+K]+ 520.02688 198.4
[M+H-H2O]+ 464.06098 198.0
[M+HCOO]- 526.06192 226.9
[M+CH3COO]- 540.07757 237.6
[M+Na-2H]- 502.03839 207.5
[M]+ 481.06317 223.9
[M]- 481.06427 223.9
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.