CID 5938824

315182-77-5

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 219.2
[M+Na]+ 495.23666 232.1
[M+NH4]+ 490.28126 224.7
[M+K]+ 511.21060 222.7
[M-H]- 471.24016 227.1
[M+Na-2H]- 493.22211 229.1
[M]+ 472.24689 223.1
[M]- 472.24799 223.1
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.