CID 200347

Indene-3-ethylamine, n,n-dimethyl-2-(alpha,alpha,alpha-trifluoro-p-tolyl)-, hydrochloride

Structural Information

Molecular Formula
C20H20F3N
SMILES
CN(C)CCC1=C(CC2=CC=CC=C21)C3=CC=C(C=C3)C(F)(F)F
InChI
InChI=1S/C20H20F3N/c1-24(2)12-11-18-17-6-4-3-5-15(17)13-19(18)14-7-9-16(10-8-14)20(21,22)23/h3-10H,11-13H2,1-2H3
InChIKey
YAWDSGLCKZHRBW-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-[2-[4-(trifluoromethyl)phenyl]-3H-inden-1-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.1548 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.16208 180.1
[M+Na]+ 354.14402 190.6
[M+NH4]+ 349.18862 187.0
[M+K]+ 370.11796 184.2
[M-H]- 330.14752 181.1
[M+Na-2H]- 352.12947 185.7
[M]+ 331.15425 181.8
[M]- 331.15535 181.8
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.