CID 3062155

Piperazine, 1-(1,3-benzodioxol-5-yl)-4-((3,4,5-trimethoxyphenyl)methyl)-, dihydrochloride

Structural Information

Molecular Formula
C21H26N2O5
SMILES
COC1=CC(=CC(=C1OC)OC)CN2CCN(CC2)C3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C21H26N2O5/c1-24-19-10-15(11-20(25-2)21(19)26-3)13-22-6-8-23(9-7-22)16-4-5-17-18(12-16)28-14-27-17/h4-5,10-12H,6-9,13-14H2,1-3H3
InChIKey
KFLFHVONDSPSIU-UHFFFAOYSA-N
Compound name
1-(1,3-benzodioxol-5-yl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

386.18417 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.19145 192.8
[M+Na]+ 409.17339 198.9
[M-H]- 385.17689 201.5
[M+NH4]+ 404.21799 201.4
[M+K]+ 425.14733 197.8
[M+H-H2O]+ 369.18143 182.4
[M+HCOO]- 431.18237 207.0
[M+CH3COO]- 445.19802 202.1
[M+Na-2H]- 407.15884 193.0
[M]+ 386.18362 196.5
[M]- 386.18472 196.5
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

patents stripe