CID 667052

Brn 4882291

Structural Information

Molecular Formula
C20H25N3O
SMILES
CC1=C(C2=CC=CC=C2N1C)C3N4CC5(CN3CC(C4)(C5=O)C)C
InChI
InChI=1S/C20H25N3O/c1-13-16(14-7-5-6-8-15(14)21(13)4)17-22-9-19(2)10-23(17)12-20(3,11-22)18(19)24/h5-8,17H,9-12H2,1-4H3
InChIKey
OJUDIJXBZSAGOX-UHFFFAOYSA-N
Compound name
2-(1,2-dimethylindol-3-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

0
Patents

323.19977 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.20705 181.1
[M+Na]+ 346.18899 194.3
[M+NH4]+ 341.23359 194.3
[M+K]+ 362.16293 183.3
[M-H]- 322.19249 180.5
[M+Na-2H]- 344.17444 179.8
[M]+ 323.19922 183.3
[M]- 323.20032 183.3
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.