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]+ 324.207046 177.4
[M+Na]+ 346.188988 184.9
[M-H]- 322.192494 174.2
[M+NH4]+ 341.233593 199.5
[M+K]+ 362.162928 178.4
[M+H-H2O]+ 306.197030 165.7
[M+HCOO]- 368.197971 181.5
[M+CH3COO]- 382.213621 185.1
[M+Na-2H]- 344.174436 184.0
[M]+ 323.19922142 181.6
[M]- 323.20031858 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.