CID 111149

Physostigmine methiodide

Structural Information

Molecular Formula
C16H24N3O2
SMILES
C[C@@]12CCN([C@@H]1[N+](C3=C2C=C(C=C3)OC(=O)NC)(C)C)C
InChI
InChI=1S/C16H23N3O2/c1-16-8-9-18(3)14(16)19(4,5)13-7-6-11(10-12(13)16)21-15(20)17-2/h6-7,10,14H,8-9H2,1-5H3/p+1/t14-,16+/m1/s1
InChIKey
LQNLJKJOHFEIPL-ZBFHGGJFSA-O
Compound name
[(3aR,8bS)-3,4,4,8b-tetramethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-4-ium-7-yl] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

290.18686 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.19414 165.6
[M+Na]+ 313.17608 174.9
[M-H]- 289.17958 169.3
[M+NH4]+ 308.22068 188.5
[M+K]+ 329.15002 165.9
[M+H-H2O]+ 273.18412 162.5
[M+HCOO]- 335.18506 183.7
[M+CH3COO]- 349.20071 198.0
[M+Na-2H]- 311.16153 170.9
[M]+ 290.18631 166.3
[M]- 290.18741 166.3
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.