CID 3050374

66307-60-6

Structural Information

Molecular Formula
C22H28N2O4
SMILES
CC(=O)OC(CN1CCN(CC1)C2=CC=CC=C2)COC3=CC=C(C=C3)OC
InChI
InChI=1S/C22H28N2O4/c1-18(25)28-22(17-27-21-10-8-20(26-2)9-11-21)16-23-12-14-24(15-13-23)19-6-4-3-5-7-19/h3-11,22H,12-17H2,1-2H3
InChIKey
OMEPRLXQXHXOBC-UHFFFAOYSA-N
Compound name
[1-(4-methoxyphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.2049 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.21218 193.8
[M+Na]+ 407.19412 195.9
[M-H]- 383.19762 198.9
[M+NH4]+ 402.23872 201.2
[M+K]+ 423.16806 192.7
[M+H-H2O]+ 367.20216 181.8
[M+HCOO]- 429.20310 208.5
[M+CH3COO]- 443.21875 218.8
[M+Na-2H]- 405.17957 193.5
[M]+ 384.20435 193.8
[M]- 384.20545 193.8
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.