CID 68446549

1160513-60-9

Structural Information

Molecular Formula
C17H18FNO3
SMILES
C[C@@H](C(=O)O)NCC1=CC=C(C=C1)OCC2=CC(=CC=C2)F
InChI
InChI=1S/C17H18FNO3/c1-12(17(20)21)19-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,19H,10-11H2,1H3,(H,20,21)/t12-/m0/s1
InChIKey
OMBVXGARDCQQMQ-LBPRGKRZSA-N
Compound name
(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

303.12708 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.13436 171.2
[M+Na]+ 326.11630 182.3
[M+NH4]+ 321.16090 177.3
[M+K]+ 342.09024 176.1
[M-H]- 302.11980 173.2
[M+Na-2H]- 324.10175 177.6
[M]+ 303.12653 173.1
[M]- 303.12763 173.1
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