CID 818064

Brn 4880295

Structural Information

Molecular Formula
C19H23N3O
SMILES
CC1=C(C2=CC=CC=C2N1)C3N4CC5(CN3CC(C4)(C5=O)C)C
InChI
InChI=1S/C19H23N3O/c1-12-15(13-6-4-5-7-14(13)20-12)16-21-8-18(2)9-22(16)11-19(3,10-21)17(18)23/h4-7,16,20H,8-11H2,1-3H3
InChIKey
HWSMNUZKFJXCCS-UHFFFAOYSA-N
Compound name
5,7-dimethyl-2-(2-methyl-1H-indol-3-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

309.1841 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.19138 176.6
[M+Na]+ 332.17332 189.2
[M+NH4]+ 327.21792 189.7
[M+K]+ 348.14726 178.5
[M-H]- 308.17682 175.5
[M+Na-2H]- 330.15877 175.3
[M]+ 309.18355 178.5
[M]- 309.18465 178.5
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.