CID 89816384

1454847-99-4

Structural Information

Molecular Formula
C15H15FN2O3
SMILES
C[C@H](C1=C(C=CC(=C1)F)C(=O)OC)OC2=C(N=CC=C2)N
InChI
InChI=1S/C15H15FN2O3/c1-9(21-13-4-3-7-18-14(13)17)12-8-10(16)5-6-11(12)15(19)20-2/h3-9H,1-2H3,(H2,17,18)/t9-/m1/s1
InChIKey
GMFQSQNAGPWXPZ-SECBINFHSA-N
Compound name
methyl 2-[(1R)-1-(2-aminopyridin-3-yl)oxyethyl]-4-fluorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

290.10666 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.11394 166.0
[M+Na]+ 313.09588 177.8
[M+NH4]+ 308.14048 171.8
[M+K]+ 329.06982 172.5
[M-H]- 289.09938 167.6
[M+Na-2H]- 311.08133 172.4
[M]+ 290.10611 167.9
[M]- 290.10721 167.9
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