CID 67119441

Flometoquin

Structural Information

Molecular Formula
C22H20F3NO5
SMILES
CCC1=C(C(=C2C=C(C(=CC2=N1)C)OC3=CC=C(C=C3)OC(F)(F)F)OC(=O)OC)C
InChI
InChI=1S/C22H20F3NO5/c1-5-17-13(3)20(30-21(27)28-4)16-11-19(12(2)10-18(16)26-17)29-14-6-8-15(9-7-14)31-22(23,24)25/h6-11H,5H2,1-4H3
InChIKey
FMPFURNXXAKYNE-UHFFFAOYSA-N
Compound name
[2-ethyl-3,7-dimethyl-6-[4-(trifluoromethoxy)phenoxy]quinolin-4-yl] methyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5680
Patents

435.12936 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.13664 202.9
[M+Na]+ 458.11858 212.7
[M-H]- 434.12208 206.0
[M+NH4]+ 453.16318 212.6
[M+K]+ 474.09252 208.8
[M+H-H2O]+ 418.12662 190.6
[M+HCOO]- 480.12756 217.9
[M+CH3COO]- 494.14321 230.2
[M+Na-2H]- 456.10403 203.6
[M]+ 435.12881 207.9
[M]- 435.12991 207.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe