CID 489640

38199-17-6

Structural Information

Molecular Formula
C20H23F3N2O
SMILES
CCC1CN2CCC1CC2C(C3=C4C=CC(=CC4=NC=C3)C(F)(F)F)O
InChI
InChI=1S/C20H23F3N2O/c1-2-12-11-25-8-6-13(12)9-18(25)19(26)16-5-7-24-17-10-14(20(21,22)23)3-4-15(16)17/h3-5,7,10,12-13,18-19,26H,2,6,8-9,11H2,1H3
InChIKey
QFVZIFGMGPEWHZ-UHFFFAOYSA-N
Compound name
(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-[7-(trifluoromethyl)quinolin-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

364.17624 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.18352 188.9
[M+Na]+ 387.16546 192.6
[M-H]- 363.16896 181.2
[M+NH4]+ 382.21006 203.0
[M+K]+ 403.13940 186.2
[M+H-H2O]+ 347.17350 177.5
[M+HCOO]- 409.17444 188.2
[M+CH3COO]- 423.19009 193.6
[M+Na-2H]- 385.15091 194.4
[M]+ 364.17569 184.9
[M]- 364.17679 184.9
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