CID 135810901

2-(4-benzyl-1-piperazinyl)-n'-(5-bromo-2-hydroxybenzylidene)acetohydrazide

Structural Information

Molecular Formula
C20H23BrN4O2
SMILES
C1CN(CCN1CC2=CC=CC=C2)CC(=O)N/N=C\C3=C(C=CC(=C3)Br)O
InChI
InChI=1S/C20H23BrN4O2/c21-18-6-7-19(26)17(12-18)13-22-23-20(27)15-25-10-8-24(9-11-25)14-16-4-2-1-3-5-16/h1-7,12-13,26H,8-11,14-15H2,(H,23,27)/b22-13-
InChIKey
DHCLBERZVVRAGZ-XKZIYDEJSA-N
Compound name
2-(4-benzylpiperazin-1-yl)-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.10043 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.10771 192.3
[M+Na]+ 453.08965 197.9
[M-H]- 429.09315 200.1
[M+NH4]+ 448.13425 202.0
[M+K]+ 469.06359 184.7
[M+H-H2O]+ 413.09769 187.2
[M+HCOO]- 475.09863 208.3
[M+CH3COO]- 489.11428 225.3
[M+Na-2H]- 451.07510 195.5
[M]+ 430.09988 206.7
[M]- 430.10098 206.7
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.