CID 3071153

(+)-2-alpha-tropanyl chlorodiphenylacetate hydrochloride

Structural Information

Molecular Formula
C22H24ClNO2
SMILES
CN1[C@H]2CC[C@@H]1[C@H](CC2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)Cl
InChI
InChI=1S/C22H24ClNO2/c1-24-18-12-14-19(24)20(15-13-18)26-21(25)22(23,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-20H,12-15H2,1H3/t18-,19+,20-/m0/s1
InChIKey
QYFGNSZBWRHVCX-ZCNNSNEGSA-N
Compound name
[(1R,2S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl] 2-chloro-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.14957 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.15685 190.6
[M+Na]+ 392.13879 195.3
[M-H]- 368.14229 197.0
[M+NH4]+ 387.18339 204.9
[M+K]+ 408.11273 189.0
[M+H-H2O]+ 352.14683 182.0
[M+HCOO]- 414.14777 200.1
[M+CH3COO]- 428.16342 199.2
[M+Na-2H]- 390.12424 191.5
[M]+ 369.14902 190.0
[M]- 369.15012 190.0
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.