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 178.1
[M+Na]+ 354.14402 186.2
[M-H]- 330.14752 183.3
[M+NH4]+ 349.18862 195.5
[M+K]+ 370.11796 180.7
[M+H-H2O]+ 314.15206 168.0
[M+HCOO]- 376.15300 197.7
[M+CH3COO]- 390.16865 216.9
[M+Na-2H]- 352.12947 179.7
[M]+ 331.15425 176.7
[M]- 331.15535 176.7
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.