CID 3046825

Brn 0555452

Structural Information

Molecular Formula
C21H26N2O2
SMILES
C[C@H]1CN(CC(N1CC2=CC3=C(C=C2)OCO3)(C)C)C4=CC=CC=C4
InChI
InChI=1S/C21H26N2O2/c1-16-12-22(18-7-5-4-6-8-18)14-21(2,3)23(16)13-17-9-10-19-20(11-17)25-15-24-19/h4-11,16H,12-15H2,1-3H3/t16-/m0/s1
InChIKey
MEJPRKQWHLKYJP-INIZCTEOSA-N
Compound name
(6S)-1-(1,3-benzodioxol-5-ylmethyl)-2,2,6-trimethyl-4-phenylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.19943 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.20671 182.8
[M+Na]+ 361.18865 197.7
[M+NH4]+ 356.23325 192.7
[M+K]+ 377.16259 189.7
[M-H]- 337.19215 191.2
[M+Na-2H]- 359.17410 190.3
[M]+ 338.19888 187.7
[M]- 338.19998 187.7
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.