CID 6885952

2-(4-(2-cl-benzyl)-1-piperazinyl)n'-(4-(dimethylamino)benzylidene)acetohydrazide

Structural Information

Molecular Formula
C22H28ClN5O
SMILES
CN(C)C1=CC=C(C=C1)/C=N/NC(=O)CN2CCN(CC2)CC3=CC=CC=C3Cl
InChI
InChI=1S/C22H28ClN5O/c1-26(2)20-9-7-18(8-10-20)15-24-25-22(29)17-28-13-11-27(12-14-28)16-19-5-3-4-6-21(19)23/h3-10,15H,11-14,16-17H2,1-2H3,(H,25,29)/b24-15+
InChIKey
JUNBJYJSKPQFGT-BUVRLJJBSA-N
Compound name
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.19824 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.20552 202.1
[M+Na]+ 436.18746 205.1
[M-H]- 412.19096 209.9
[M+NH4]+ 431.23206 210.3
[M+K]+ 452.16140 199.4
[M+H-H2O]+ 396.19550 189.9
[M+HCOO]- 458.19644 218.0
[M+CH3COO]- 472.21209 235.8
[M+Na-2H]- 434.17291 203.0
[M]+ 413.19769 201.8
[M]- 413.19879 201.8
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.