CID 3077594

Brn 4893194

Structural Information

Molecular Formula
C23H32N4O3S
SMILES
CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C=C2C3N4CC5(CN3CC(C4)(C5=O)C)C)C
InChI
InChI=1S/C23H32N4O3S/c1-6-27(7-2)31(29,30)16-8-9-19-17(10-16)18(11-24(19)5)20-25-12-22(3)13-26(20)15-23(4,14-25)21(22)28/h8-11,20H,6-7,12-15H2,1-5H3
InChIKey
MXWNZTMBEGZFIB-UHFFFAOYSA-N
Compound name
3-(5,7-dimethyl-6-oxo-1,3-diazatricyclo[3.3.1.13,7]decan-2-yl)-N,N-diethyl-1-methylindole-5-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.2195 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.22678 203.0
[M+Na]+ 467.20872 212.5
[M+NH4]+ 462.25332 213.7
[M+K]+ 483.18266 202.2
[M-H]- 443.21222 200.6
[M+Na-2H]- 465.19417 201.5
[M]+ 444.21895 204.5
[M]- 444.22005 204.5
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.