CID 9587875

1-piperazinamine, n-(phenylmethylene)-4-((2,4,6-trimethylphenyl)methyl)-, monomethanesulfonate

Structural Information

Molecular Formula
C21H27N3
SMILES
CC1=CC(=C(C(=C1)C)CN2CCN(CC2)/N=C/C3=CC=CC=C3)C
InChI
InChI=1S/C21H27N3/c1-17-13-18(2)21(19(3)14-17)16-23-9-11-24(12-10-23)22-15-20-7-5-4-6-8-20/h4-8,13-15H,9-12,16H2,1-3H3/b22-15+
InChIKey
JKBPZCZTKFGFJB-PXLXIMEGSA-N
Compound name
(E)-1-phenyl-N-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.2205 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.227776 182.1
[M+Na]+ 344.209718 187.5
[M-H]- 320.213224 189.4
[M+NH4]+ 339.254323 193.8
[M+K]+ 360.183658 181.5
[M+H-H2O]+ 304.217760 170.5
[M+HCOO]- 366.218701 201.0
[M+CH3COO]- 380.234351 215.7
[M+Na-2H]- 342.195166 183.7
[M]+ 321.21995142 179.4
[M]- 321.22104858 179.4
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.