CID 9637702

2-(4-benzyl-1-piperazinyl)-n'-(1-(3-bromophenyl)ethylidene)acetohydrazide

Structural Information

Molecular Formula
C21H25BrN4O
SMILES
C/C(=N\NC(=O)CN1CCN(CC1)CC2=CC=CC=C2)/C3=CC(=CC=C3)Br
InChI
InChI=1S/C21H25BrN4O/c1-17(19-8-5-9-20(22)14-19)23-24-21(27)16-26-12-10-25(11-13-26)15-18-6-3-2-4-7-18/h2-9,14H,10-13,15-16H2,1H3,(H,24,27)/b23-17+
InChIKey
YPKDBIJNKJARGQ-HAVVHWLPSA-N
Compound name
2-(4-benzylpiperazin-1-yl)-N-[(E)-1-(3-bromophenyl)ethylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.12115 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.12843 194.2
[M+Na]+ 451.11037 198.8
[M-H]- 427.11387 202.8
[M+NH4]+ 446.15497 204.3
[M+K]+ 467.08431 186.1
[M+H-H2O]+ 411.11841 188.9
[M+HCOO]- 473.11935 210.2
[M+CH3COO]- 487.13500 227.9
[M+Na-2H]- 449.09582 196.8
[M]+ 428.12060 208.3
[M]- 428.12170 208.3
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.