CID 211957

23776-27-4

Structural Information

Molecular Formula
C22H26N2O5
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)CC(=O)N2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C22H26N2O5/c1-27-19-13-16(14-20(28-2)22(19)29-3)18(25)15-21(26)24-11-9-23(10-12-24)17-7-5-4-6-8-17/h4-8,13-14H,9-12,15H2,1-3H3
InChIKey
DBZHMIDIQSVMPE-UHFFFAOYSA-N
Compound name
1-(4-phenylpiperazin-1-yl)-3-(3,4,5-trimethoxyphenyl)propane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.18417 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.19145 195.4
[M+Na]+ 421.17339 199.5
[M-H]- 397.17689 201.4
[M+NH4]+ 416.21799 202.7
[M+K]+ 437.14733 196.6
[M+H-H2O]+ 381.18143 183.8
[M+HCOO]- 443.18237 210.4
[M+CH3COO]- 457.19802 222.9
[M+Na-2H]- 419.15884 193.8
[M]+ 398.18362 197.0
[M]- 398.18472 197.0
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.