CID 3049122

Brn 0846538

Structural Information

Molecular Formula
C20H27N3O3
SMILES
COC1=CC=CC=C1N2CCN(CC2)CC(COC3=CC=CC(=C3)N)O
InChI
InChI=1S/C20H27N3O3/c1-25-20-8-3-2-7-19(20)23-11-9-22(10-12-23)14-17(24)15-26-18-6-4-5-16(21)13-18/h2-8,13,17,24H,9-12,14-15,21H2,1H3
InChIKey
ZEBCRSNQFDZHCK-UHFFFAOYSA-N
Compound name
1-(3-aminophenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

357.20523 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.212506 186.9
[M+Na]+ 380.194448 189.8
[M-H]- 356.197954 190.9
[M+NH4]+ 375.239053 194.8
[M+K]+ 396.168388 185.3
[M+H-H2O]+ 340.202490 175.7
[M+HCOO]- 402.203431 202.0
[M+CH3COO]- 416.219081 214.9
[M+Na-2H]- 378.179896 187.3
[M]+ 357.20468142 183.4
[M]- 357.20577858 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