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 165.2
[M+Na]+ 313.09588 172.9
[M-H]- 289.09938 169.3
[M+NH4]+ 308.14048 178.8
[M+K]+ 329.06982 169.9
[M+H-H2O]+ 273.10392 155.6
[M+HCOO]- 335.10486 186.1
[M+CH3COO]- 349.12051 204.6
[M+Na-2H]- 311.08133 167.0
[M]+ 290.10611 165.8
[M]- 290.10721 165.8
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