CID 42551

Nufenoxole

Structural Information

Molecular Formula
C25H29N3O
SMILES
CC1=NN=C(O1)C(CCN2CC3CCC2CC3)(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C25H29N3O/c1-19-26-27-24(29-19)25(21-8-4-2-5-9-21,22-10-6-3-7-11-22)16-17-28-18-20-12-14-23(28)15-13-20/h2-11,20,23H,12-18H2,1H3
InChIKey
CVOCKGAVXLCEGM-UHFFFAOYSA-N
Compound name
2-[3-(2-azabicyclo[2.2.2]octan-2-yl)-1,1-diphenylpropyl]-5-methyl-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

292
Patents

387.23105 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.23833 188.5
[M+Na]+ 410.22027 190.4
[M-H]- 386.22377 190.1
[M+NH4]+ 405.26487 199.5
[M+K]+ 426.19421 185.3
[M+H-H2O]+ 370.22831 176.9
[M+HCOO]- 432.22925 193.9
[M+CH3COO]- 446.24490 194.5
[M+Na-2H]- 408.20572 195.2
[M]+ 387.23050 189.0
[M]- 387.23160 189.0
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