CID 9634848

303107-60-0

Structural Information

Molecular Formula
C27H30N4O
SMILES
C/C(=N\NC(=O)CN1CCN(CC1)CC2=CC=CC=C2)/C3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C27H30N4O/c1-22(24-12-14-26(15-13-24)25-10-6-3-7-11-25)28-29-27(32)21-31-18-16-30(17-19-31)20-23-8-4-2-5-9-23/h2-15H,16-21H2,1H3,(H,29,32)/b28-22+
InChIKey
BAEKDXLKCSGVRM-XAYXJRQQSA-N
Compound name
2-(4-benzylpiperazin-1-yl)-N-[(E)-1-(4-phenylphenyl)ethylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.24197 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.249246 205.8
[M+Na]+ 449.231188 206.3
[M-H]- 425.234694 214.6
[M+NH4]+ 444.275793 210.9
[M+K]+ 465.205128 199.6
[M+H-H2O]+ 409.239230 191.8
[M+HCOO]- 471.240171 223.0
[M+CH3COO]- 485.255821 211.7
[M+Na-2H]- 447.216636 206.9
[M]+ 426.24142142 200.2
[M]- 426.24251858 200.2
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.