CID 650307

Brn 4882984

Structural Information

Molecular Formula
C19H23N3O2
SMILES
CC12CN3CC(C1=O)(CN(C2)C3C4=CNC5=C4C=C(C=C5)OC)C
InChI
InChI=1S/C19H23N3O2/c1-18-8-21-10-19(2,17(18)23)11-22(9-18)16(21)14-7-20-15-5-4-12(24-3)6-13(14)15/h4-7,16,20H,8-11H2,1-3H3
InChIKey
PNTTYTFEXVOBKE-UHFFFAOYSA-N
Compound name
2-(5-methoxy-1H-indol-3-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

325.17902 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.186296 175.0
[M+Na]+ 348.168238 181.7
[M-H]- 324.171744 170.5
[M+NH4]+ 343.212843 196.2
[M+K]+ 364.142178 175.4
[M+H-H2O]+ 308.176280 163.9
[M+HCOO]- 370.177221 178.4
[M+CH3COO]- 384.192871 182.2
[M+Na-2H]- 346.153686 183.0
[M]+ 325.17847142 178.7
[M]- 325.17956858 178.7
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.