CID 3063944

8-benzyl-3-p-chlorophenyl-3-nortropanol oxalate

Structural Information

Molecular Formula
C20H22ClNO
SMILES
C1CC2CC(CC1N2CC3=CC=CC=C3)(C4=CC=C(C=C4)Cl)O
InChI
InChI=1S/C20H22ClNO/c21-17-8-6-16(7-9-17)20(23)12-18-10-11-19(13-20)22(18)14-15-4-2-1-3-5-15/h1-9,18-19,23H,10-14H2
InChIKey
XBQDPMFJWABAIV-UHFFFAOYSA-N
Compound name
8-benzyl-3-(4-chlorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

327.13898 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.146256 179.2
[M+Na]+ 350.128198 186.3
[M-H]- 326.131704 184.9
[M+NH4]+ 345.172803 197.0
[M+K]+ 366.102138 178.4
[M+H-H2O]+ 310.136240 170.8
[M+HCOO]- 372.137181 190.3
[M+CH3COO]- 386.152831 188.9
[M+Na-2H]- 348.113646 181.0
[M]+ 327.13843142 177.1
[M]- 327.13952858 177.1
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

patents stripe