CID 3045626

Piperazine, 1-phenyl-4-((2,4,6-trimethylphenyl)methyl)-, (z)-2-butenedioate (1:1)

Structural Information

Molecular Formula
C20H26N2
SMILES
CC1=CC(=C(C(=C1)C)CN2CCN(CC2)C3=CC=CC=C3)C
InChI
InChI=1S/C20H26N2/c1-16-13-17(2)20(18(3)14-16)15-21-9-11-22(12-10-21)19-7-5-4-6-8-19/h4-8,13-14H,9-12,15H2,1-3H3
InChIKey
LMLXMEIZDVIQPY-UHFFFAOYSA-N
Compound name
1-phenyl-4-[(2,4,6-trimethylphenyl)methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.2096 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.216876 174.6
[M+Na]+ 317.198818 180.6
[M-H]- 293.202324 180.8
[M+NH4]+ 312.243423 187.2
[M+K]+ 333.172758 174.7
[M+H-H2O]+ 277.206860 163.9
[M+HCOO]- 339.207801 191.2
[M+CH3COO]- 353.223451 184.4
[M+Na-2H]- 315.184266 175.9
[M]+ 294.20905142 171.2
[M]- 294.21014858 171.2
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.