CID 5938824

N'-{(e)-[4-(benzyloxy)-3-methoxyphenyl]methylidene}-2-(4-benzylpiperazin-1-yl)acetohydrazide

Structural Information

Molecular Formula
C28H32N4O3
SMILES
COC1=C(C=CC(=C1)/C=N\NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)OCC4=CC=CC=C4
InChI
InChI=1S/C28H32N4O3/c1-34-27-18-25(12-13-26(27)35-22-24-10-6-3-7-11-24)19-29-30-28(33)21-32-16-14-31(15-17-32)20-23-8-4-2-5-9-23/h2-13,18-19H,14-17,20-22H2,1H3,(H,30,33)/b29-19-
InChIKey
ZMDVGUFWWZCNHO-CEUNXORHSA-N
Compound name
2-(4-benzylpiperazin-1-yl)-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.24744 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.25472 216.0
[M+Na]+ 495.23666 216.9
[M-H]- 471.24016 224.9
[M+NH4]+ 490.28126 219.4
[M+K]+ 511.21060 211.0
[M+H-H2O]+ 455.24470 201.3
[M+HCOO]- 517.24564 234.2
[M+CH3COO]- 531.26129 241.9
[M+Na-2H]- 493.22211 217.2
[M]+ 472.24689 214.3
[M]- 472.24799 214.3
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.