CID 198941

3-(alpha-(alpha,alpha,alpha-trifluoro-p-tolyl)benzyloxy)tropane fumarate

Structural Information

Molecular Formula
C22H24F3NO
SMILES
CN1C2CCC1CC(C2)OC(C3=CC=CC=C3)C4=CC=C(C=C4)C(F)(F)F
InChI
InChI=1S/C22H24F3NO/c1-26-18-11-12-19(26)14-20(13-18)27-21(15-5-3-2-4-6-15)16-7-9-17(10-8-16)22(23,24)25/h2-10,18-21H,11-14H2,1H3
InChIKey
KFYINOIVXGBXKZ-UHFFFAOYSA-N
Compound name
8-methyl-3-[phenyl-[4-(trifluoromethyl)phenyl]methoxy]-8-azabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.181 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.18828 190.8
[M+Na]+ 398.17022 195.7
[M-H]- 374.17372 193.6
[M+NH4]+ 393.21482 204.3
[M+K]+ 414.14416 189.4
[M+H-H2O]+ 358.17826 179.2
[M+HCOO]- 420.17920 201.3
[M+CH3COO]- 434.19485 198.4
[M+Na-2H]- 396.15567 189.5
[M]+ 375.18045 184.4
[M]- 375.18155 184.4
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.