CID 12359494

102233-08-9

Structural Information

Molecular Formula
C22H31N3O2
SMILES
C[C@@H]1CN(C[C@@H](N1CCCC2=CC(=C(C=C2)OC)OC)C)C3=CC=CC=N3
InChI
InChI=1S/C22H31N3O2/c1-17-15-24(22-9-5-6-12-23-22)16-18(2)25(17)13-7-8-19-10-11-20(26-3)21(14-19)27-4/h5-6,9-12,14,17-18H,7-8,13,15-16H2,1-4H3/t17-,18+
InChIKey
JFIJFDZAXPPZRA-HDICACEKSA-N
Compound name
(2R,6S)-1-[3-(3,4-dimethoxyphenyl)propyl]-2,6-dimethyl-4-pyridin-2-ylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.24164 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.24892 195.6
[M+Na]+ 392.23086 201.2
[M-H]- 368.23436 200.2
[M+NH4]+ 387.27546 203.6
[M+K]+ 408.20480 195.7
[M+H-H2O]+ 352.23890 183.2
[M+HCOO]- 414.23984 210.2
[M+CH3COO]- 428.25549 220.6
[M+Na-2H]- 390.21631 194.9
[M]+ 369.24109 196.4
[M]- 369.24219 196.4
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.