CID 3038618

Piperazine, 1-(2-benzofuranylcarbonyl)-4-((3,4,5-trimethoxyphenyl)methyl)-, monohydrochloride

Structural Information

Molecular Formula
C23H26N2O5
SMILES
COC1=CC(=CC(=C1OC)OC)CN2CCN(CC2)C(=O)C3=CC4=CC=CC=C4O3
InChI
InChI=1S/C23H26N2O5/c1-27-19-12-16(13-20(28-2)22(19)29-3)15-24-8-10-25(11-9-24)23(26)21-14-17-6-4-5-7-18(17)30-21/h4-7,12-14H,8-11,15H2,1-3H3
InChIKey
UBOGPWRTWBYGRW-UHFFFAOYSA-N
Compound name
1-benzofuran-2-yl-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

410.18417 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.191446 198.7
[M+Na]+ 433.173388 205.6
[M-H]- 409.176894 207.4
[M+NH4]+ 428.217993 207.6
[M+K]+ 449.147328 202.9
[M+H-H2O]+ 393.181430 187.9
[M+HCOO]- 455.182371 215.2
[M+CH3COO]- 469.198021 224.4
[M+Na-2H]- 431.158836 198.3
[M]+ 410.18362142 203.9
[M]- 410.18471858 203.9
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.