CID 3049095

Brn 1511191

Structural Information

Molecular Formula
C22H23Cl2NO3
SMILES
CN1C2CCC1C(CC2)OC(=O)C(C3=CC=CC=C3)(C4=CC(=C(C=C4)Cl)Cl)O
InChI
InChI=1S/C22H23Cl2NO3/c1-25-16-8-11-19(25)20(12-9-16)28-21(26)22(27,14-5-3-2-4-6-14)15-7-10-17(23)18(24)13-15/h2-7,10,13,16,19-20,27H,8-9,11-12H2,1H3
InChIKey
BUURAUUIILIYRI-UHFFFAOYSA-N
Compound name
(8-methyl-8-azabicyclo[3.2.1]octan-2-yl) 2-(3,4-dichlorophenyl)-2-hydroxy-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.1055 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.11278 199.4
[M+Na]+ 442.09472 205.8
[M-H]- 418.09822 204.6
[M+NH4]+ 437.13932 212.1
[M+K]+ 458.06866 198.7
[M+H-H2O]+ 402.10276 192.1
[M+HCOO]- 464.10370 202.6
[M+CH3COO]- 478.11935 207.2
[M+Na-2H]- 440.08017 198.3
[M]+ 419.10495 200.9
[M]- 419.10605 200.9
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.