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]+ 385.212176 193.8
[M+Na]+ 407.194118 195.9
[M-H]- 383.197624 198.9
[M+NH4]+ 402.238723 201.2
[M+K]+ 423.168058 192.7
[M+H-H2O]+ 367.202160 181.8
[M+HCOO]- 429.203101 208.5
[M+CH3COO]- 443.218751 218.8
[M+Na-2H]- 405.179566 193.5
[M]+ 384.20435142 193.8
[M]- 384.20544858 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.