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
(2R,6S)-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]+ 342.217606 186.8
[M+Na]+ 364.199548 193.4
[M-H]- 340.203054 191.9
[M+NH4]+ 359.244153 196.1
[M+K]+ 380.173488 188.4
[M+H-H2O]+ 324.207590 174.9
[M+HCOO]- 386.208531 202.2
[M+CH3COO]- 400.224181 214.8
[M+Na-2H]- 362.184996 187.2
[M]+ 341.20978142 187.1
[M]- 341.21087858 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.