CID 211819

Brn 0505101

Structural Information

Molecular Formula
C24H21F3N4O6
SMILES
C1=C(C=NC=C1F)C(=O)OCCN(CCOC(=O)C2=CC(=CN=C2)F)CCOC(=O)C3=CC(=CN=C3)F
InChI
InChI=1S/C24H21F3N4O6/c25-19-7-16(10-28-13-19)22(32)35-4-1-31(2-5-36-23(33)17-8-20(26)14-29-11-17)3-6-37-24(34)18-9-21(27)15-30-12-18/h7-15H,1-6H2
InChIKey
UHYSECYXNUVJBK-UHFFFAOYSA-N
Compound name
2-[bis[2-(5-fluoropyridine-3-carbonyl)oxyethyl]amino]ethyl 5-fluoropyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

518.1413 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 519.14858 217.5
[M+Na]+ 541.13052 221.8
[M-H]- 517.13402 220.0
[M+NH4]+ 536.17512 218.2
[M+K]+ 557.10446 218.3
[M+H-H2O]+ 501.13856 201.1
[M+HCOO]- 563.13950 232.4
[M+CH3COO]- 577.15515 245.7
[M+Na-2H]- 539.11597 216.3
[M]+ 518.14075 221.3
[M]- 518.14185 221.3
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.