CID 3062900

99460-51-2

Structural Information

Molecular Formula
C20H25N3
SMILES
CCC(=NC1=CC=C(C=C1)N2CCN(CC2)C3=CC=CC=C3)C
InChI
InChI=1S/C20H25N3/c1-3-17(2)21-18-9-11-20(12-10-18)23-15-13-22(14-16-23)19-7-5-4-6-8-19/h4-12H,3,13-16H2,1-2H3
InChIKey
DKGQBISRSWXMKN-UHFFFAOYSA-N
Compound name
N-[4-(4-phenylpiperazin-1-yl)phenyl]butan-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.20483 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.21211 177.5
[M+Na]+ 330.19405 191.8
[M+NH4]+ 325.23865 186.0
[M+K]+ 346.16799 182.4
[M-H]- 306.19755 184.4
[M+Na-2H]- 328.17950 187.6
[M]+ 307.20428 181.6
[M]- 307.20538 181.6
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.