CID 211817

Brn 1557171

Structural Information

Molecular Formula
C20H22F2N2O4
SMILES
C1=C(C=NC=C1F)COC(=O)CCCCCCC(=O)OCC2=CC(=CN=C2)F
InChI
InChI=1S/C20H22F2N2O4/c21-17-7-15(9-23-11-17)13-27-19(25)5-3-1-2-4-6-20(26)28-14-16-8-18(22)12-24-10-16/h7-12H,1-6,13-14H2
InChIKey
WQLSGPFQCDZDGT-UHFFFAOYSA-N
Compound name
bis[(5-fluoropyridin-3-yl)methyl] octanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.15475 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.16203 193.9
[M+Na]+ 415.14397 203.8
[M+NH4]+ 410.18857 196.8
[M+K]+ 431.11791 197.4
[M-H]- 391.14747 191.9
[M+Na-2H]- 413.12942 197.8
[M]+ 392.15420 194.3
[M]- 392.15530 194.3
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.