CID 203556

Indene-3-ethylamine, n,n-dimethyl-2-(p-fluorobenzyl)-, hydrochloride

Structural Information

Molecular Formula
C20H22FN
SMILES
CN(C)CCC1=C(CC2=CC=CC=C21)CC3=CC=C(C=C3)F
InChI
InChI=1S/C20H22FN/c1-22(2)12-11-20-17(13-15-7-9-18(21)10-8-15)14-16-5-3-4-6-19(16)20/h3-10H,11-14H2,1-2H3
InChIKey
HFJUIPZGMHACAC-UHFFFAOYSA-N
Compound name
2-[2-[(4-fluorophenyl)methyl]-3H-inden-1-yl]-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.1736 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.18088 171.4
[M+Na]+ 318.16282 178.8
[M-H]- 294.16632 179.0
[M+NH4]+ 313.20742 190.2
[M+K]+ 334.13676 173.7
[M+H-H2O]+ 278.17086 162.5
[M+HCOO]- 340.17180 194.8
[M+CH3COO]- 354.18745 211.8
[M+Na-2H]- 316.14827 173.4
[M]+ 295.17305 172.7
[M]- 295.17415 172.7
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.