CID 20055089

Ethybenztropine

Structural Information

Molecular Formula
C22H27NO
SMILES
CCN1[C@@H]2CC[C@H]1CC(C2)OC(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H27NO/c1-2-23-19-13-14-20(23)16-21(15-19)24-22(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-22H,2,13-16H2,1H3/t19-,20+,21?
InChIKey
PHTMLLGDZBZXMW-WCRBZPEASA-N
Compound name
(1R,5S)-3-benzhydryloxy-8-ethyl-8-azabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

12
References

714
Patents

321.20926 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.21654 179.8
[M+Na]+ 344.19848 183.0
[M-H]- 320.20198 186.0
[M+NH4]+ 339.24308 195.1
[M+K]+ 360.17242 177.6
[M+H-H2O]+ 304.20652 170.1
[M+HCOO]- 366.20746 195.1
[M+CH3COO]- 380.22311 188.7
[M+Na-2H]- 342.18393 180.1
[M]+ 321.20871 176.5
[M]- 321.20981 176.5
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