CID 1376891

Piperazine, 1-(2-methoxyphenyl)-4-((3,4,5-trimethoxyphenyl)methyl)-, dihydrochloride

Structural Information

Molecular Formula
C21H28N2O4
SMILES
COC1=CC=CC=C1N2CCN(CC2)CC3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C21H28N2O4/c1-24-18-8-6-5-7-17(18)23-11-9-22(10-12-23)15-16-13-19(25-2)21(27-4)20(14-16)26-3/h5-8,13-14H,9-12,15H2,1-4H3
InChIKey
DGDNVIQSKYNCRL-UHFFFAOYSA-N
Compound name
1-(2-methoxyphenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

12
Patents

372.2049 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.21218 191.8
[M+Na]+ 395.19412 197.4
[M-H]- 371.19762 198.1
[M+NH4]+ 390.23872 200.9
[M+K]+ 411.16806 194.0
[M+H-H2O]+ 355.20216 180.1
[M+HCOO]- 417.20310 208.6
[M+CH3COO]- 431.21875 219.3
[M+Na-2H]- 393.17957 191.9
[M]+ 372.20435 194.7
[M]- 372.20545 194.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe