CID 9633594

2-(4-benzyl-1-piperazinyl)n'-(3-(2-methoxyphenyl)-2-propenylidene)acetohydrazide

Structural Information

Molecular Formula
C23H28N4O2
SMILES
COC1=CC=CC=C1/C=C/C=N/NC(=O)CN2CCN(CC2)CC3=CC=CC=C3
InChI
InChI=1S/C23H28N4O2/c1-29-22-12-6-5-10-21(22)11-7-13-24-25-23(28)19-27-16-14-26(15-17-27)18-20-8-3-2-4-9-20/h2-13H,14-19H2,1H3,(H,25,28)/b11-7+,24-13+
InChIKey
HPVWFYVLNFZIPA-ZHBAQDKBSA-N
Compound name
2-(4-benzylpiperazin-1-yl)-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

392.22122 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.22850 197.0
[M+Na]+ 415.21044 198.8
[M-H]- 391.21394 203.2
[M+NH4]+ 410.25504 204.4
[M+K]+ 431.18438 193.0
[M+H-H2O]+ 375.21848 184.3
[M+HCOO]- 437.21942 216.0
[M+CH3COO]- 451.23507 226.6
[M+Na-2H]- 413.19589 198.9
[M]+ 392.22067 194.1
[M]- 392.22177 194.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.