CID 211899

Brn 0488948

Structural Information

Molecular Formula
C15H15FN2O2
SMILES
C1=CC(=CN=C1)CCCC(=O)OCC2=CC(=CN=C2)F
InChI
InChI=1S/C15H15FN2O2/c16-14-7-13(9-18-10-14)11-20-15(19)5-1-3-12-4-2-6-17-8-12/h2,4,6-10H,1,3,5,11H2
InChIKey
MIVSSKVDEOTEOH-UHFFFAOYSA-N
Compound name
(5-fluoropyridin-3-yl)methyl 4-pyridin-3-ylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.11176 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.11904 162.0
[M+Na]+ 297.10098 169.1
[M-H]- 273.10448 164.2
[M+NH4]+ 292.14558 175.0
[M+K]+ 313.07492 165.0
[M+H-H2O]+ 257.10902 151.4
[M+HCOO]- 319.10996 181.9
[M+CH3COO]- 333.12561 197.5
[M+Na-2H]- 295.08643 167.1
[M]+ 274.11121 163.1
[M]- 274.11231 163.1
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

No patent data available for this compound.