CID 173672

Wr 184806

Structural Information

Molecular Formula
C18H20F6N2O
SMILES
CC(C)(C)NCCC(C1=CC(=NC2=C1C=CC=C2C(F)(F)F)C(F)(F)F)O
InChI
InChI=1S/C18H20F6N2O/c1-16(2,3)25-8-7-13(27)11-9-14(18(22,23)24)26-15-10(11)5-4-6-12(15)17(19,20)21/h4-6,9,13,25,27H,7-8H2,1-3H3
InChIKey
NEZJFNMPGLCANK-UHFFFAOYSA-N
Compound name
1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-3-(tert-butylamino)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

3
Patents

394.14798 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.15526 189.0
[M+Na]+ 417.13720 192.7
[M+NH4]+ 412.18180 190.0
[M+K]+ 433.11114 189.3
[M-H]- 393.14070 182.0
[M+Na-2H]- 415.12265 188.4
[M]+ 394.14743 187.1
[M]- 394.14853 187.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe