CID 99097

64511-32-6

Structural Information

Molecular Formula
C20H27N3O3
SMILES
COC1=CC=CC(=C1)N2CCN(CC2)CC(COC3=CC=C(C=C3)N)O
InChI
InChI=1S/C20H27N3O3/c1-25-20-4-2-3-17(13-20)23-11-9-22(10-12-23)14-18(24)15-26-19-7-5-16(21)6-8-19/h2-8,13,18,24H,9-12,14-15,21H2,1H3
InChIKey
MENTZCAIIFIRHY-UHFFFAOYSA-N
Compound name
1-(4-aminophenoxy)-3-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.20523 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.21251 186.9
[M+Na]+ 380.19445 189.8
[M-H]- 356.19795 190.9
[M+NH4]+ 375.23905 194.8
[M+K]+ 396.16839 185.3
[M+H-H2O]+ 340.20249 175.7
[M+HCOO]- 402.20343 202.0
[M+CH3COO]- 416.21908 214.9
[M+Na-2H]- 378.17990 187.3
[M]+ 357.20468 183.4
[M]- 357.20578 183.4
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

patents stripe