CID 3046826

Brn 0553093

Structural Information

Molecular Formula
C22H30N2O2
SMILES
C[C@H]1CN(CC(N1CC2=CC(=C(C=C2)OC)OC)(C)C)C3=CC=CC=C3
InChI
InChI=1S/C22H30N2O2/c1-17-14-23(19-9-7-6-8-10-19)16-22(2,3)24(17)15-18-11-12-20(25-4)21(13-18)26-5/h6-13,17H,14-16H2,1-5H3/t17-/m0/s1
InChIKey
VENOKJUPRXFXPR-KRWDZBQOSA-N
Compound name
(6S)-1-[(3,4-dimethoxyphenyl)methyl]-2,2,6-trimethyl-4-phenylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.23074 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.23802 189.2
[M+Na]+ 377.21996 196.0
[M-H]- 353.22346 195.8
[M+NH4]+ 372.26456 201.5
[M+K]+ 393.19390 191.4
[M+H-H2O]+ 337.22800 178.3
[M+HCOO]- 399.22894 205.5
[M+CH3COO]- 413.24459 217.5
[M+Na-2H]- 375.20541 189.9
[M]+ 354.23019 190.1
[M]- 354.23129 190.1
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.