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 172.5
[M+Na]+ 332.17332 179.5
[M-H]- 308.17682 168.1
[M+NH4]+ 327.21792 194.4
[M+K]+ 348.14726 172.5
[M+H-H2O]+ 292.18136 161.3
[M+HCOO]- 354.18230 175.8
[M+CH3COO]- 368.19795 179.9
[M+Na-2H]- 330.15877 180.1
[M]+ 309.18355 174.7
[M]- 309.18465 174.7
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.