CID 6604909

Alx-5407

Structural Information

Molecular Formula
C24H24FNO3
SMILES
CN(CC[C@H](C1=CC=C(C=C1)F)OC2=CC=C(C=C2)C3=CC=CC=C3)CC(=O)O
InChI
InChI=1S/C24H24FNO3/c1-26(17-24(27)28)16-15-23(20-7-11-21(25)12-8-20)29-22-13-9-19(10-14-22)18-5-3-2-4-6-18/h2-14,23H,15-17H2,1H3,(H,27,28)/t23-/m1/s1
InChIKey
FDORQEIHOKEJNX-HSZRJFAPSA-N
Compound name
2-[[(3R)-3-(4-fluorophenyl)-3-(4-phenylphenoxy)propyl]-methylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

39
References

147
Patents

393.174 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.18128 197.0
[M+Na]+ 416.16322 209.6
[M+NH4]+ 411.20782 203.3
[M+K]+ 432.13716 201.8
[M-H]- 392.16672 202.0
[M+Na-2H]- 414.14867 205.9
[M]+ 393.17345 200.1
[M]- 393.17455 200.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe