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]+ 427.24925 205.8
[M+Na]+ 449.23119 206.3
[M-H]- 425.23469 214.6
[M+NH4]+ 444.27579 210.9
[M+K]+ 465.20513 199.6
[M+H-H2O]+ 409.23923 191.8
[M+HCOO]- 471.24017 223.0
[M+CH3COO]- 485.25582 211.7
[M+Na-2H]- 447.21664 206.9
[M]+ 426.24142 200.2
[M]- 426.24252 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.