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 189.6
[M+Na]+ 377.21996 204.8
[M+NH4]+ 372.26456 198.6
[M+K]+ 393.19390 194.1
[M-H]- 353.22346 195.4
[M+Na-2H]- 375.20541 199.3
[M]+ 354.23019 193.8
[M]- 354.23129 193.8
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.