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]+ 296.175736 166.8
[M+Na]+ 318.157678 173.4
[M-H]- 294.161184 162.3
[M+NH4]+ 313.202283 189.0
[M+K]+ 334.131618 166.6
[M+H-H2O]+ 278.165720 155.5
[M+HCOO]- 340.166661 170.6
[M+CH3COO]- 354.182311 174.4
[M+Na-2H]- 316.143126 175.7
[M]+ 295.16791142 168.4
[M]- 295.16900858 168.4
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.