CID 3057527

74051-15-3

Structural Information

Molecular Formula
C20H20F3N
SMILES
CC(CC1=CC(=CC=C1)C(F)(F)F)N(C)CC#CC2=CC=CC=C2
InChI
InChI=1S/C20H20F3N/c1-16(14-18-10-6-12-19(15-18)20(21,22)23)24(2)13-7-11-17-8-4-3-5-9-17/h3-6,8-10,12,15-16H,13-14H2,1-2H3
InChIKey
YVHZBJXOFFMTCF-UHFFFAOYSA-N
Compound name
N-methyl-N-(3-phenylprop-2-ynyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.1548 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.16208 183.0
[M+Na]+ 354.14402 193.3
[M+NH4]+ 349.18862 185.5
[M+K]+ 370.11796 182.3
[M-H]- 330.14752 175.2
[M+Na-2H]- 352.12947 185.7
[M]+ 331.15425 181.5
[M]- 331.15535 181.5
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.