CID 12359489

102233-05-6

Structural Information

Molecular Formula
C21H29N3O2
SMILES
C[C@@H]1CN(C[C@@H](N1CCC2=CC(=C(C=C2)OC)OC)C)C3=CC=CC=N3
InChI
InChI=1S/C21H29N3O2/c1-16-14-23(21-7-5-6-11-22-21)15-17(2)24(16)12-10-18-8-9-19(25-3)20(13-18)26-4/h5-9,11,13,16-17H,10,12,14-15H2,1-4H3/t16-,17+
InChIKey
IDNTZDUJFHUKQQ-CALCHBBNSA-N
Compound name
(2R,6S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,6-dimethyl-4-pyridin-2-ylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.22598 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.23326 190.8
[M+Na]+ 378.21520 205.7
[M+NH4]+ 373.25980 197.6
[M+K]+ 394.18914 197.2
[M-H]- 354.21870 195.7
[M+Na-2H]- 376.20065 198.5
[M]+ 355.22543 194.4
[M]- 355.22653 194.4
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.