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]+ 308.212106 176.7
[M+Na]+ 330.194048 180.4
[M-H]- 306.197554 183.5
[M+NH4]+ 325.238653 188.3
[M+K]+ 346.167988 175.1
[M+H-H2O]+ 290.202090 165.1
[M+HCOO]- 352.203031 195.0
[M+CH3COO]- 366.218681 185.8
[M+Na-2H]- 328.179496 179.3
[M]+ 307.20428142 172.3
[M]- 307.20537858 172.3
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.