CID 12359474

Piperazine, 1-(3,4-dimethoxybenzyl)-2,6-dimethyl-4-(2-pyridyl)-, hydrochloride, (z)-

Structural Information

Molecular Formula
C20H27N3O2
SMILES
C[C@@H]1CN(C[C@@H](N1CC2=CC(=C(C=C2)OC)OC)C)C3=CC=CC=N3
InChI
InChI=1S/C20H27N3O2/c1-15-12-22(20-7-5-6-10-21-20)13-16(2)23(15)14-17-8-9-18(24-3)19(11-17)25-4/h5-11,15-16H,12-14H2,1-4H3/t15-,16+
InChIKey
GVEIRTSCQUWCTQ-IYBDPMFKSA-N
Compound name
(2S,6R)-1-[(3,4-dimethoxyphenyl)methyl]-2,6-dimethyl-4-pyridin-2-ylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.21033 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.21761 186.8
[M+Na]+ 364.19955 193.4
[M-H]- 340.20305 191.9
[M+NH4]+ 359.24415 196.1
[M+K]+ 380.17349 188.4
[M+H-H2O]+ 324.20759 174.9
[M+HCOO]- 386.20853 202.2
[M+CH3COO]- 400.22418 214.8
[M+Na-2H]- 362.18500 187.2
[M]+ 341.20978 187.1
[M]- 341.21088 187.1
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.