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]+ 328.14626 179.2
[M+Na]+ 350.12820 186.3
[M-H]- 326.13170 184.9
[M+NH4]+ 345.17280 197.0
[M+K]+ 366.10214 178.4
[M+H-H2O]+ 310.13624 170.8
[M+HCOO]- 372.13718 190.3
[M+CH3COO]- 386.15283 188.9
[M+Na-2H]- 348.11365 181.0
[M]+ 327.13843 177.1
[M]- 327.13953 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