CID 1959691

Brn 4891889

Structural Information

Molecular Formula
C22H30N4O3S
SMILES
CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)NC=C2C3N4CC5(CN3CC(C4)(C5=O)C)C
InChI
InChI=1S/C22H30N4O3S/c1-5-26(6-2)30(28,29)15-7-8-18-16(9-15)17(10-23-18)19-24-11-21(3)12-25(19)14-22(4,13-24)20(21)27/h7-10,19,23H,5-6,11-14H2,1-4H3
InChIKey
CRXIZXZMTPARRI-UHFFFAOYSA-N
Compound name
3-(5,7-dimethyl-6-oxo-1,3-diazatricyclo[3.3.1.13,7]decan-2-yl)-N,N-diethyl-1H-indole-5-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.20386 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.21114 198.4
[M+Na]+ 453.19308 202.6
[M-H]- 429.19658 193.3
[M+NH4]+ 448.23768 215.8
[M+K]+ 469.16702 199.0
[M+H-H2O]+ 413.20112 190.1
[M+HCOO]- 475.20206 196.3
[M+CH3COO]- 489.21771 203.4
[M+Na-2H]- 451.17853 207.6
[M]+ 430.20331 206.5
[M]- 430.20441 206.5
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.