CID 443033

Flumetover

Structural Information

Molecular Formula

C₁₉H₂₀F₃NO₃

SMILES

CCN(C)C(=O)C1=C(C=C(C=C1)C(F)(F)F)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C19H20F3NO3/c1-5-23(2)18(24)14-8-7-13(19(20,21)22)11-15(14)12-6-9-16(25-3)17(10-12)26-4/h6-11H,5H2,1-4H3

InChIKey

XFOXDUJCOHBXRC-UHFFFAOYSA-N

Compound name

2-(3,4-dimethoxyphenyl)-N-ethyl-N-methyl-4-(trifluoromethyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19940
Patents: 367.13953 Da
Monoisotopic Mass: 4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	368.146806	184.1
[M+Na]+	390.128748	192.0
[M-H]-	366.132254	188.6
[M+NH4]+	385.173353	197.2
[M+K]+	406.102688	189.3
[M+H-H2O]+	350.136790	173.2
[M+HCOO]-	412.137731	203.2
[M+CH3COO]-	426.153381	223.3
[M+Na-2H]-	388.114196	184.1
[M]+	367.13898142	185.9
[M]-	367.14007858	185.9

Literature stripe

literature stripe

Patent stripe

patents stripe