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]+ 385.212176 194.4
[M+Na]+ 407.194118 198.6
[M-H]- 383.197624 200.2
[M+NH4]+ 402.238723 202.5
[M+K]+ 423.168058 194.9
[M+H-H2O]+ 367.202160 182.6
[M+HCOO]- 429.203101 210.0
[M+CH3COO]- 443.218751 221.1
[M+Na-2H]- 405.179566 193.7
[M]+ 384.20435142 195.9
[M]- 384.20544858 195.9
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.