CID 742446

Brn 4881821

Structural Information

Molecular Formula
C19H23N3O
SMILES
CC12CN3CC(C1=O)(CN(C2)C3C4=CN(C5=CC=CC=C54)C)C
InChI
InChI=1S/C19H23N3O/c1-18-9-21-11-19(2,17(18)23)12-22(10-18)16(21)14-8-20(3)15-7-5-4-6-13(14)15/h4-8,16H,9-12H2,1-3H3
InChIKey
OILSUAOPHMBUFP-UHFFFAOYSA-N
Compound name
5,7-dimethyl-2-(1-methylindol-3-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

309.1841 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.19138 176.8
[M+Na]+ 332.17332 189.9
[M+NH4]+ 327.21792 190.2
[M+K]+ 348.14726 178.9
[M-H]- 308.17682 176.2
[M+Na-2H]- 330.15877 176.0
[M]+ 309.18355 179.0
[M]- 309.18465 179.0
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.