CID 488961

Chembl1179736

Structural Information

Molecular Formula
C24H28NO2
SMILES
C1C[N+]2(CCC1CC2)CC3CC(C(=O)O3)(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C24H28NO2/c26-23-24(20-7-3-1-4-8-20,21-9-5-2-6-10-21)17-22(27-23)18-25-14-11-19(12-15-25)13-16-25/h1-10,19,22H,11-18H2/q+1
InChIKey
CVUYZNJIONDVBA-UHFFFAOYSA-N
Compound name
5-(1-azoniabicyclo[2.2.2]octan-1-ylmethyl)-3,3-diphenyloxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.212 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.21928 181.4
[M+Na]+ 385.20122 183.6
[M-H]- 361.20472 185.7
[M+NH4]+ 380.24582 199.6
[M+K]+ 401.17516 173.1
[M+H-H2O]+ 345.20926 172.0
[M+HCOO]- 407.21020 188.3
[M+CH3COO]- 421.22585 188.4
[M+Na-2H]- 383.18667 189.3
[M]+ 362.21145 178.0
[M]- 362.21255 178.0
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.