CID 3050736

1-(4-acetamido-2-methoxyphenoxy)-3-(4-(3-fluorophenyl)piperazino)-2-propanol

Structural Information

Molecular Formula
C22H28FN3O4
SMILES
CC(=O)NC1=CC(=C(C=C1)OCC(CN2CCN(CC2)C3=CC(=CC=C3)F)O)OC
InChI
InChI=1S/C22H28FN3O4/c1-16(27)24-18-6-7-21(22(13-18)29-2)30-15-20(28)14-25-8-10-26(11-9-25)19-5-3-4-17(23)12-19/h3-7,12-13,20,28H,8-11,14-15H2,1-2H3,(H,24,27)
InChIKey
BFWLZGKDRXWANP-UHFFFAOYSA-N
Compound name
N-[4-[3-[4-(3-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]-3-methoxyphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

417.2064 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.21368 200.5
[M+Na]+ 440.19562 203.2
[M-H]- 416.19912 203.7
[M+NH4]+ 435.24022 206.2
[M+K]+ 456.16956 199.0
[M+H-H2O]+ 400.20366 188.1
[M+HCOO]- 462.20460 213.7
[M+CH3COO]- 476.22025 226.9
[M+Na-2H]- 438.18107 198.5
[M]+ 417.20585 198.0
[M]- 417.20695 198.0
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

patents stripe