CID 1097625

Brn 4890621

Structural Information

Molecular Formula
C20H26N4O3S
SMILES
CC12CN3CC(C1=O)(CN(C2)C3C4=CNC5=C4C=C(C=C5)S(=O)(=O)N(C)C)C
InChI
InChI=1S/C20H26N4O3S/c1-19-9-23-11-20(2,18(19)25)12-24(10-19)17(23)15-8-21-16-6-5-13(7-14(15)16)28(26,27)22(3)4/h5-8,17,21H,9-12H2,1-4H3
InChIKey
FYOKJKFCCVPLFB-UHFFFAOYSA-N
Compound name
3-(5,7-dimethyl-6-oxo-1,3-diazatricyclo[3.3.1.13,7]decan-2-yl)-N,N-dimethyl-1H-indole-5-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.17258 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.17986 190.3
[M+Na]+ 425.16180 195.5
[M-H]- 401.16530 185.7
[M+NH4]+ 420.20640 208.9
[M+K]+ 441.13574 192.2
[M+H-H2O]+ 385.16984 182.4
[M+HCOO]- 447.17078 189.0
[M+CH3COO]- 461.18643 196.3
[M+Na-2H]- 423.14725 200.4
[M]+ 402.17203 198.0
[M]- 402.17313 198.0
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.