CID 6885479

2-(4-benzyl-1-piperazinyl)-n'-(4-isopropylbenzylidene)acetohydrazide

Structural Information

Molecular Formula
C23H30N4O
SMILES
CC(C)C1=CC=C(C=C1)/C=N/NC(=O)CN2CCN(CC2)CC3=CC=CC=C3
InChI
InChI=1S/C23H30N4O/c1-19(2)22-10-8-20(9-11-22)16-24-25-23(28)18-27-14-12-26(13-15-27)17-21-6-4-3-5-7-21/h3-11,16,19H,12-15,17-18H2,1-2H3,(H,25,28)/b24-16+
InChIKey
PLSRXIPOPSWHFF-LFVJCYFKSA-N
Compound name
2-(4-benzylpiperazin-1-yl)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.24197 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.24925 195.2
[M+Na]+ 401.23119 196.5
[M-H]- 377.23469 201.4
[M+NH4]+ 396.27579 203.2
[M+K]+ 417.20513 191.2
[M+H-H2O]+ 361.23923 182.8
[M+HCOO]- 423.24017 212.8
[M+CH3COO]- 437.25582 226.6
[M+Na-2H]- 399.21664 195.8
[M]+ 378.24142 191.1
[M]- 378.24252 191.1
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.