CID 3051277

Brn 0555345

Structural Information

Molecular Formula
C22H28N2O2
SMILES
CC1CN(CC(N1CCC2=CC3=C(C=C2)OCO3)(C)C)C4=CC=CC=C4
InChI
InChI=1S/C22H28N2O2/c1-17-14-23(19-7-5-4-6-8-19)15-22(2,3)24(17)12-11-18-9-10-20-21(13-18)26-16-25-20/h4-10,13,17H,11-12,14-16H2,1-3H3
InChIKey
KGVBXSSDICMTNZ-UHFFFAOYSA-N
Compound name
1-[2-(1,3-benzodioxol-5-yl)ethyl]-2,2,6-trimethyl-4-phenylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.2151 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.22238 188.2
[M+Na]+ 375.20432 194.8
[M-H]- 351.20782 196.7
[M+NH4]+ 370.24892 200.3
[M+K]+ 391.17826 191.6
[M+H-H2O]+ 335.21236 177.9
[M+HCOO]- 397.21330 201.7
[M+CH3COO]- 411.22895 197.7
[M+Na-2H]- 373.18977 189.1
[M]+ 352.21455 187.9
[M]- 352.21565 187.9
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.