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]+ 411.19145 198.7
[M+Na]+ 433.17339 205.6
[M-H]- 409.17689 207.4
[M+NH4]+ 428.21799 207.6
[M+K]+ 449.14733 202.9
[M+H-H2O]+ 393.18143 187.9
[M+HCOO]- 455.18237 215.2
[M+CH3COO]- 469.19802 224.4
[M+Na-2H]- 431.15884 198.3
[M]+ 410.18362 203.9
[M]- 410.18472 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.