CID 211515

N-(1-ethyl-3-pyrrolidinyl)-alpha,alpha,alpha-trifluoro-m-propionotoluidide fumarate (1:1)

Structural Information

Molecular Formula
C16H21F3N2O
SMILES
CCN1CCC(C1)N(C2=CC=CC(=C2C)C)C(=O)C(F)(F)F
InChI
InChI=1S/C16H21F3N2O/c1-4-20-9-8-13(10-20)21(15(22)16(17,18)19)14-7-5-6-11(2)12(14)3/h5-7,13H,4,8-10H2,1-3H3
InChIKey
FEBNGIPNFABKEV-UHFFFAOYSA-N
Compound name
N-(2,3-dimethylphenyl)-N-(1-ethylpyrrolidin-3-yl)-2,2,2-trifluoroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.16058 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.16786 177.1
[M+Na]+ 337.14980 183.9
[M+NH4]+ 332.19440 181.6
[M+K]+ 353.12374 180.7
[M-H]- 313.15330 175.0
[M+Na-2H]- 335.13525 179.4
[M]+ 314.16003 177.0
[M]- 314.16113 177.0
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.