CID 28806

17837-65-9

Structural Information

Molecular Formula
C22H28N2O4
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)CN2CCN(CC2)CC3=CC=CC=C3
InChI
InChI=1S/C22H28N2O4/c1-26-20-13-18(14-21(27-2)22(20)28-3)19(25)16-24-11-9-23(10-12-24)15-17-7-5-4-6-8-17/h4-8,13-14H,9-12,15-16H2,1-3H3
InChIKey
JWQMEGYQWJZJAO-UHFFFAOYSA-N
Compound name
2-(4-benzylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.2049 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.21218 194.6
[M+Na]+ 407.19412 207.9
[M+NH4]+ 402.23872 200.5
[M+K]+ 423.16806 200.6
[M-H]- 383.19762 198.9
[M+Na-2H]- 405.17957 201.6
[M]+ 384.20435 197.6
[M]- 384.20545 197.6
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.