CID 3055535

5h-benzocyclohepten-7-amine, 6,7,8,9-tetrahydro-n,n-dimethyl-5-(4-(trifluoromethyl)phenoxy)-,hydrochloride, cis-

Structural Information

Molecular Formula
C20H22F3NO
SMILES
CN(C)[C@H]1CCC2=CC=CC=C2[C@H](C1)OC3=CC=C(C=C3)C(F)(F)F
InChI
InChI=1S/C20H22F3NO/c1-24(2)16-10-7-14-5-3-4-6-18(14)19(13-16)25-17-11-8-15(9-12-17)20(21,22)23/h3-6,8-9,11-12,16,19H,7,10,13H2,1-2H3/t16-,19-/m0/s1
InChIKey
XBKSJKOZHBQUQT-LPHOPBHVSA-N
Compound name
(5S,7S)-N,N-dimethyl-5-[4-(trifluoromethyl)phenoxy]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.16534 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.17262 176.9
[M+Na]+ 372.15456 185.1
[M+NH4]+ 367.19916 182.7
[M+K]+ 388.12850 179.7
[M-H]- 348.15806 177.6
[M+Na-2H]- 370.14001 182.1
[M]+ 349.16479 178.2
[M]- 349.16589 178.2
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.