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 177.4
[M+Na]+ 346.18899 184.9
[M-H]- 322.19249 174.2
[M+NH4]+ 341.23359 199.5
[M+K]+ 362.16293 178.4
[M+H-H2O]+ 306.19703 165.7
[M+HCOO]- 368.19797 181.5
[M+CH3COO]- 382.21362 185.1
[M+Na-2H]- 344.17444 184.0
[M]+ 323.19922 181.6
[M]- 323.20032 181.6
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.