CID 9587875

1-(benzylideneamino)-4-(2,4,6-trimethylbenzyl)piperazine methanesulfonate

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]+ 322.22778 182.1
[M+Na]+ 344.20972 187.5
[M-H]- 320.21322 189.4
[M+NH4]+ 339.25432 193.8
[M+K]+ 360.18366 181.5
[M+H-H2O]+ 304.21776 170.5
[M+HCOO]- 366.21870 201.0
[M+CH3COO]- 380.23435 215.7
[M+Na-2H]- 342.19517 183.7
[M]+ 321.21995 179.4
[M]- 321.22105 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.