CID 29281

18833-63-1

Structural Information

Molecular Formula
C20H25F3N2O
SMILES
CN(C)CCCOC1=C2CCCCCC2=NC3=C1C=CC(=C3)C(F)(F)F
InChI
InChI=1S/C20H25F3N2O/c1-25(2)11-6-12-26-19-15-7-4-3-5-8-17(15)24-18-13-14(20(21,22)23)9-10-16(18)19/h9-10,13H,3-8,11-12H2,1-2H3
InChIKey
RQQOGSBLNKWZIK-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-[[3-(trifluoromethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl]oxy]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.1919 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.19918 180.2
[M+Na]+ 389.18112 185.4
[M-H]- 365.18462 182.1
[M+NH4]+ 384.22572 193.3
[M+K]+ 405.15506 185.2
[M+H-H2O]+ 349.18916 170.6
[M+HCOO]- 411.19010 193.4
[M+CH3COO]- 425.20575 223.4
[M+Na-2H]- 387.16657 183.6
[M]+ 366.19135 175.6
[M]- 366.19245 175.6
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.