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 180.2
[M+Na]+ 354.14402 187.8
[M-H]- 330.14752 181.0
[M+NH4]+ 349.18862 192.1
[M+K]+ 370.11796 180.7
[M+H-H2O]+ 314.15206 163.5
[M+HCOO]- 376.15300 192.8
[M+CH3COO]- 390.16865 219.6
[M+Na-2H]- 352.12947 180.1
[M]+ 331.15425 171.2
[M]- 331.15535 171.2
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.