CID 71923

Droclidinium bromide

Structural Information

Molecular Formula
C22H32NO3
SMILES
C[N+]12CCC(CC1)C(C2)OC(=O)C(C3CCCCC3)(C4=CC=CC=C4)O
InChI
InChI=1S/C22H32NO3/c1-23-14-12-17(13-15-23)20(16-23)26-21(24)22(25,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2,4-5,8-9,17,19-20,25H,3,6-7,10-16H2,1H3/q+1
InChIKey
UEJRWWYWBNGGBE-UHFFFAOYSA-N
Compound name
(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 2-cyclohexyl-2-hydroxy-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

358.23822 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.24550 185.1
[M+Na]+ 381.22744 183.0
[M-H]- 357.23094 183.0
[M+NH4]+ 376.27204 200.4
[M+K]+ 397.20138 173.6
[M+H-H2O]+ 341.23548 178.4
[M+HCOO]- 403.23642 185.9
[M+CH3COO]- 417.25207 207.8
[M+Na-2H]- 379.21289 194.0
[M]+ 358.23767 178.9
[M]- 358.23877 178.9
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

patents stripe