CID 3055541

Cis-n-methyl-5-(4-(trifluoromethyl)phenoxy)-6,7,8,9-tetrahydro-5h-benzocyclohepten-7-amine hcl

Structural Information

Molecular Formula
C19H20F3NO
SMILES
CN[C@H]1CCC2=CC=CC=C2[C@H](C1)OC3=CC=C(C=C3)C(F)(F)F
InChI
InChI=1S/C19H20F3NO/c1-23-15-9-6-13-4-2-3-5-17(13)18(12-15)24-16-10-7-14(8-11-16)19(20,21)22/h2-5,7-8,10-11,15,18,23H,6,9,12H2,1H3/t15-,18-/m0/s1
InChIKey
UAAZQYRZRVDCOD-YJBOKZPZSA-N
Compound name
(5S,7S)-N-methyl-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

335.1497 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.15698 171.3
[M+Na]+ 358.13892 176.5
[M-H]- 334.14242 175.7
[M+NH4]+ 353.18352 185.0
[M+K]+ 374.11286 175.9
[M+H-H2O]+ 318.14696 162.9
[M+HCOO]- 380.14790 187.1
[M+CH3COO]- 394.16355 213.3
[M+Na-2H]- 356.12437 175.0
[M]+ 335.14915 163.5
[M]- 335.15025 163.5
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.