CID 18584

Ethylamine, n,n-dimethyl-2-(alpha-(alpha,alpha,alpha-trifluoro-m-tolyl)benzyloxy)-, fumarate

Structural Information

Molecular Formula
C18H20F3NO
SMILES
CN(C)CCOC(C1=CC=CC=C1)C2=CC(=CC=C2)C(F)(F)F
InChI
InChI=1S/C18H20F3NO/c1-22(2)11-12-23-17(14-7-4-3-5-8-14)15-9-6-10-16(13-15)18(19,20)21/h3-10,13,17H,11-12H2,1-2H3
InChIKey
QRRYOMLNXIYUQV-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-[phenyl-[3-(trifluoromethyl)phenyl]methoxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.1497 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.15698 175.1
[M+Na]+ 346.13892 180.5
[M-H]- 322.14242 178.5
[M+NH4]+ 341.18352 189.2
[M+K]+ 362.11286 177.1
[M+H-H2O]+ 306.14696 164.0
[M+HCOO]- 368.14790 193.9
[M+CH3COO]- 382.16355 214.1
[M+Na-2H]- 344.12437 177.4
[M]+ 323.14915 173.3
[M]- 323.15025 173.3
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.