CID 72106

Morniflumate

Structural Information

Molecular Formula
C19H20F3N3O3
SMILES
C1COCCN1CCOC(=O)C2=C(N=CC=C2)NC3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C19H20F3N3O3/c20-19(21,22)14-3-1-4-15(13-14)24-17-16(5-2-6-23-17)18(26)28-12-9-25-7-10-27-11-8-25/h1-6,13H,7-12H2,(H,23,24)
InChIKey
LDXSPUSKBDTEKA-UHFFFAOYSA-N
Compound name
2-morpholin-4-ylethyl 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

41
References

3909
Patents

395.1457 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.15298 192.0
[M+Na]+ 418.13492 196.1
[M-H]- 394.13842 194.4
[M+NH4]+ 413.17952 197.7
[M+K]+ 434.10886 192.2
[M+H-H2O]+ 378.14296 178.0
[M+HCOO]- 440.14390 203.9
[M+CH3COO]- 454.15955 220.1
[M+Na-2H]- 416.12037 194.5
[M]+ 395.14515 186.5
[M]- 395.14625 186.5
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