CID 208869

Brn 1556355

Structural Information

Molecular Formula
C18H18F2N2O4
SMILES
C1=C(C=NC=C1F)COC(=O)CCCCC(=O)OCC2=CC(=CN=C2)F
InChI
InChI=1S/C18H18F2N2O4/c19-15-5-13(7-21-9-15)11-25-17(23)3-1-2-4-18(24)26-12-14-6-16(20)10-22-8-14/h5-10H,1-4,11-12H2
InChIKey
VCLPUOYTTCGZOH-UHFFFAOYSA-N
Compound name
bis[(5-fluoropyridin-3-yl)methyl] hexanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.12347 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.13075 185.2
[M+Na]+ 387.11269 195.5
[M+NH4]+ 382.15729 188.5
[M+K]+ 403.08663 189.6
[M-H]- 363.11619 183.3
[M+Na-2H]- 385.09814 189.7
[M]+ 364.12292 185.7
[M]- 364.12402 185.7
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.