CID 1201549

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
(1S,5R)-3-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

842
References

18874
Patents

307.1936 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.20088 175.2
[M+Na]+ 330.18282 178.9
[M-H]- 306.18632 181.6
[M+NH4]+ 325.22742 191.1
[M+K]+ 346.15676 173.7
[M+H-H2O]+ 290.19086 165.8
[M+HCOO]- 352.19180 190.9
[M+CH3COO]- 366.20745 184.6
[M+Na-2H]- 328.16827 176.1
[M]+ 307.19305 171.6
[M]- 307.19415 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

literature stripe

Patent stripe

patents stripe