CID 5811689

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

Structural Information

Molecular Formula
C27H30N4O2
SMILES
C1CN(CCN1CC2=CC=CC=C2)CC(=O)N/N=C\C3=CC(=CC=C3)OCC4=CC=CC=C4
InChI
InChI=1S/C27H30N4O2/c32-27(21-31-16-14-30(15-17-31)20-23-8-3-1-4-9-23)29-28-19-25-12-7-13-26(18-25)33-22-24-10-5-2-6-11-24/h1-13,18-19H,14-17,20-22H2,(H,29,32)/b28-19-
InChIKey
JCZSFFUNQKDJSI-USHMODERSA-N
Compound name
2-(4-benzylpiperazin-1-yl)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.23688 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.24416 208.2
[M+Na]+ 465.22610 208.8
[M-H]- 441.22960 216.8
[M+NH4]+ 460.27070 212.6
[M+K]+ 481.20004 202.3
[M+H-H2O]+ 425.23414 193.7
[M+HCOO]- 487.23508 226.6
[M+CH3COO]- 501.25073 214.0
[M+Na-2H]- 463.21155 210.5
[M]+ 442.23633 204.4
[M]- 442.23743 204.4
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.