CID 129628499

Physostigminsalicylat

Structural Information

Molecular Formula
C22H25N3O5
SMILES
CC12C(CN(C1N(C3=C2C=C(C=C3)OC(=O)NC)C)C)OC(=O)C4=CC=CC=C4O
InChI
InChI=1S/C22H25N3O5/c1-22-15-11-13(29-21(28)23-2)9-10-16(15)25(4)20(22)24(3)12-18(22)30-19(27)14-7-5-6-8-17(14)26/h5-11,18,20,26H,12H2,1-4H3,(H,23,28)
InChIKey
KTZWSFSUKHPWJF-UHFFFAOYSA-N
Compound name
[3,4,8b-trimethyl-7-(methylcarbamoyloxy)-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-1-yl] 2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.1794 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.18668 197.0
[M+Na]+ 434.16862 204.5
[M-H]- 410.17212 202.6
[M+NH4]+ 429.21322 211.8
[M+K]+ 450.14256 201.0
[M+H-H2O]+ 394.17666 189.9
[M+HCOO]- 456.17760 212.8
[M+CH3COO]- 470.19325 225.6
[M+Na-2H]- 432.15407 195.2
[M]+ 411.17885 200.8
[M]- 411.17995 200.8
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

No patent data available for this compound.