CID 208907

Ladostigil

Structural Information

Molecular Formula
C16H20N2O2
SMILES
CCN(C)C(=O)OC1=CC2=C(CC[C@H]2NCC#C)C=C1
InChI
InChI=1S/C16H20N2O2/c1-4-10-17-15-9-7-12-6-8-13(11-14(12)15)20-16(19)18(3)5-2/h1,6,8,11,15,17H,5,7,9-10H2,2-3H3/t15-/m1/s1
InChIKey
LHXOCOHMBFOVJS-OAHLLOKOSA-N
Compound name
[(3R)-3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

75
References

1795
Patents

272.15247 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.159746 168.6
[M+Na]+ 295.141688 176.7
[M-H]- 271.145194 171.8
[M+NH4]+ 290.186293 185.6
[M+K]+ 311.115628 171.6
[M+H-H2O]+ 255.149730 155.6
[M+HCOO]- 317.150671 186.1
[M+CH3COO]- 331.166321 212.2
[M+Na-2H]- 293.127136 169.1
[M]+ 272.15192142 164.5
[M]- 272.15301858 164.5
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