CID 9637702

2-(4-benzylpiperazin-1-yl)-n'-[(1e)-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 192.7
[M+Na]+ 451.11037 194.9
[M+NH4]+ 446.15497 195.8
[M+K]+ 467.08431 193.4
[M-H]- 427.11387 196.5
[M+Na-2H]- 449.09582 197.4
[M]+ 428.12060 192.8
[M]- 428.12170 192.8
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.