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]+ 310.191376 171.9
[M+Na]+ 332.173318 179.0
[M-H]- 308.176824 168.6
[M+NH4]+ 327.217923 194.3
[M+K]+ 348.147258 172.7
[M+H-H2O]+ 292.181360 160.1
[M+HCOO]- 354.182301 176.5
[M+CH3COO]- 368.197951 179.8
[M+Na-2H]- 330.158766 179.7
[M]+ 309.18355142 175.5
[M]- 309.18464858 175.5
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.