CID 135543744

Mimopezil

Structural Information

Molecular Formula
C23H23ClN2O3
SMILES
C/C=C/1\[C@@H]2CC3=C([C@]1(CC(=C2)C)N=CC4=C(C(=CC(=C4)Cl)OC)O)C=CC(=O)N3
InChI
InChI=1S/C23H23ClN2O3/c1-4-17-14-7-13(2)11-23(17,18-5-6-21(27)26-19(18)9-14)25-12-15-8-16(24)10-20(29-3)22(15)28/h4-8,10,12,14,28H,9,11H2,1-3H3,(H,26,27)/b17-4+,25-12?/t14-,23+/m0/s1
InChIKey
UYRWZANUXPUEPQ-OWNLDCJBSA-N
Compound name
(1R,9R,13E)-1-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

410.1397 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.14698 196.8
[M+Na]+ 433.12892 212.3
[M+NH4]+ 428.17352 205.9
[M+K]+ 449.10286 200.7
[M-H]- 409.13242 200.7
[M+Na-2H]- 431.11437 202.3
[M]+ 410.13915 200.6
[M]- 410.14025 200.6
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.