CID 5983

Physostigmine

Structural Information

Molecular Formula
C15H21N3O2
SMILES
C[C@@]12CCN([C@@H]1N(C3=C2C=C(C=C3)OC(=O)NC)C)C
InChI
InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1
InChIKey
PIJVFDBKTWXHHD-HIFRSBDPSA-N
Compound name
[(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

6753
References

22038
Patents

275.1634 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.17068 164.6
[M+Na]+ 298.15262 173.9
[M+NH4]+ 293.19722 173.4
[M+K]+ 314.12656 170.4
[M-H]- 274.15612 165.2
[M+Na-2H]- 296.13807 167.3
[M]+ 275.16285 165.9
[M]- 275.16395 165.9
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