CID 3494

Glycopyrronium

Structural Information

Molecular Formula
C19H28NO3
SMILES
C[N+]1(CCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)C
InChI
InChI=1S/C19H28NO3/c1-20(2)13-12-17(14-20)23-18(21)19(22,16-10-6-7-11-16)15-8-4-3-5-9-15/h3-5,8-9,16-17,22H,6-7,10-14H2,1-2H3/q+1
InChIKey
ANGKOCUUWGHLCE-UHFFFAOYSA-N
Compound name
(1,1-dimethylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

1859
References

25378
Patents

318.2069 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.21418 175.1
[M+Na]+ 341.19612 185.0
[M+NH4]+ 336.24072 184.6
[M+K]+ 357.17006 182.2
[M-H]- 317.19962 179.2
[M+Na-2H]- 339.18157 182.2
[M]+ 318.20635 177.9
[M]- 318.20745 177.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe