PubChemLite - 2-(4-(2-cl-benzyl)-1-piperazinyl)-n'-(4-(diethylamino)benzylidene)acetohydrazide (C24H32ClN5O)

Structural Information

Molecular Formula

SMILES

CCN(CC)C1=CC=C(C=C1)/C=N\NC(=O)CN2CCN(CC2)CC3=CC=CC=C3Cl

InChI

InChI=1S/C24H32ClN5O/c1-3-30(4-2)22-11-9-20(10-12-22)17-26-27-24(31)19-29-15-13-28(14-16-29)18-21-7-5-6-8-23(21)25/h5-12,17H,3-4,13-16,18-19H2,1-2H3,(H,27,31)/b26-17-

InChIKey

YRVAOIUUBIANOC-ONUIUJJFSA-N

Compound name

2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]acetamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	442.23683	210.6
[M+Na]+	464.21877	212.7
[M-H]-	440.22227	218.0
[M+NH4]+	459.26337	217.6
[M+K]+	480.19271	206.6
[M+H-H2O]+	424.22681	198.0
[M+HCOO]-	486.22775	225.8
[M+CH3COO]-	500.24340	241.6
[M+Na-2H]-	462.20422	210.5
[M]+	441.22900	210.9
[M]-	441.23010	210.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

442.23683

210.6

[M+Na]+

464.21877

212.7

[M-H]-

440.22227

218.0

[M+NH4]+

459.26337

217.6

[M+K]+

480.19271

206.6

[M+H-H2O]+

424.22681

198.0

[M+HCOO]-

486.22775

225.8

[M+CH3COO]-

500.24340

241.6

[M+Na-2H]-

462.20422

210.5

[M]+

441.22900

210.9

[M]-

441.23010

210.9

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe