CID 9626698

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

Structural Information

Molecular Formula
C21H24Cl2N4O
SMILES
C/C(=N\NC(=O)CN1CCN(CC1)CC2=CC=CC=C2)/C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C21H24Cl2N4O/c1-16(18-7-8-19(22)20(23)13-18)24-25-21(28)15-27-11-9-26(10-12-27)14-17-5-3-2-4-6-17/h2-8,13H,9-12,14-15H2,1H3,(H,25,28)/b24-16+
InChIKey
LZOBLXPOSLTMBO-LFVJCYFKSA-N
Compound name
2-(4-benzylpiperazin-1-yl)-N-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.13272 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.14000 199.5
[M+Na]+ 441.12194 203.8
[M-H]- 417.12544 205.4
[M+NH4]+ 436.16654 207.8
[M+K]+ 457.09588 196.5
[M+H-H2O]+ 401.12998 188.6
[M+HCOO]- 463.13092 208.2
[M+CH3COO]- 477.14657 229.2
[M+Na-2H]- 439.10739 199.1
[M]+ 418.13217 199.2
[M]- 418.13327 199.2
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.