CID 64580

108790-75-6

Structural Information

Molecular Formula
C18H21N3O
SMILES
CC12CN3CC(C1=O)(CN(C2)C3C4=CNC5=CC=CC=C54)C
InChI
InChI=1S/C18H21N3O/c1-17-8-20-10-18(2,16(17)22)11-21(9-17)15(20)13-7-19-14-6-4-3-5-12(13)14/h3-7,15,19H,8-11H2,1-2H3
InChIKey
YFBNTNXPUSHROV-UHFFFAOYSA-N
Compound name
2-(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

295.16846 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.17574 172.3
[M+Na]+ 318.15768 184.8
[M+NH4]+ 313.20228 185.6
[M+K]+ 334.13162 174.2
[M-H]- 294.16118 171.2
[M+Na-2H]- 316.14313 171.5
[M]+ 295.16791 174.2
[M]- 295.16901 174.2
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.