CID 200559

N,n-dimethyl-2-(alpha-(alpha,alpha,alpha-trifluoro-p-tolyl)benzyloxy)propylamine fumarate

Structural Information

Molecular Formula
C19H22F3NO
SMILES
CC(CN(C)C)OC(C1=CC=CC=C1)C2=CC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C19H22F3NO/c1-14(13-23(2)3)24-18(15-7-5-4-6-8-15)16-9-11-17(12-10-16)19(20,21)22/h4-12,14,18H,13H2,1-3H3
InChIKey
AYISXCNCUXGUPW-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-[phenyl-[4-(trifluoromethyl)phenyl]methoxy]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.16534 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.17262 179.4
[M+Na]+ 360.15456 184.1
[M-H]- 336.15806 182.7
[M+NH4]+ 355.19916 192.8
[M+K]+ 376.12850 181.0
[M+H-H2O]+ 320.16260 168.3
[M+HCOO]- 382.16354 196.9
[M+CH3COO]- 396.17919 217.9
[M+Na-2H]- 358.14001 180.0
[M]+ 337.16479 177.3
[M]- 337.16589 177.3
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.