CID 1097135

Brn 4893829

Structural Information

Molecular Formula
C22H28N4O4S
SMILES
CC12CN3CC(C1=O)(CN(C2)C3C4=CNC5=C4C=C(C=C5)S(=O)(=O)N6CCOCC6)C
InChI
InChI=1S/C22H28N4O4S/c1-21-11-24-13-22(2,20(21)27)14-25(12-21)19(24)17-10-23-18-4-3-15(9-16(17)18)31(28,29)26-5-7-30-8-6-26/h3-4,9-10,19,23H,5-8,11-14H2,1-2H3
InChIKey
LVFNXMLYMGPVRB-UHFFFAOYSA-N
Compound name
5,7-dimethyl-2-(5-morpholin-4-ylsulfonyl-1H-indol-3-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.18314 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.19042 198.9
[M+Na]+ 467.17236 209.0
[M+NH4]+ 462.21696 209.2
[M+K]+ 483.14630 199.4
[M-H]- 443.17586 197.8
[M+Na-2H]- 465.15781 197.1
[M]+ 444.18259 200.8
[M]- 444.18369 200.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.