CID 6474838

1-{[2-(1-aza-4-phenylbuta-1,3-dienyl)phenyl]methyl}-4-methylpiperazine

Structural Information

Molecular Formula
C21H25N3
SMILES
CN1CCN(CC1)CC2=CC=CC=C2N=C/C=C/C3=CC=CC=C3
InChI
InChI=1S/C21H25N3/c1-23-14-16-24(17-15-23)18-20-11-5-6-12-21(20)22-13-7-10-19-8-3-2-4-9-19/h2-13H,14-18H2,1H3/b10-7+,22-13?
InChIKey
PWRDCUUDSQVZMR-RNYICVTRSA-N
Compound name
(E)-N-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-phenylprop-2-en-1-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.20483 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.21211 180.4
[M+Na]+ 342.19405 184.2
[M-H]- 318.19755 186.8
[M+NH4]+ 337.23865 191.5
[M+K]+ 358.16799 177.6
[M+H-H2O]+ 302.20209 168.4
[M+HCOO]- 364.20303 199.5
[M+CH3COO]- 378.21868 189.1
[M+Na-2H]- 340.17950 183.5
[M]+ 319.20428 176.0
[M]- 319.20538 176.0
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.