CID 1201549

Med.21724, compound benztropine

Structural Information

Molecular Formula
C21H25NO
SMILES
CN1[C@@H]2CC[C@H]1CC(C2)OC(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3/t18-,19+,20?
InChIKey
GIJXKZJWITVLHI-YOFSQIOKSA-N
Compound name
(1R,5S)-3-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

974
References

18467
Patents

307.1936 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.200876 175.2
[M+Na]+ 330.182818 178.9
[M-H]- 306.186324 181.6
[M+NH4]+ 325.227423 191.1
[M+K]+ 346.156758 173.7
[M+H-H2O]+ 290.190860 165.8
[M+HCOO]- 352.191801 190.9
[M+CH3COO]- 366.207451 184.6
[M+Na-2H]- 328.168266 176.1
[M]+ 307.19305142 171.6
[M]- 307.19414858 171.6
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.