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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	431.211136	198.4
[M+Na]+	453.193078	202.6
[M-H]-	429.196584	193.3
[M+NH4]+	448.237683	215.8
[M+K]+	469.167018	199.0
[M+H-H2O]+	413.201120	190.1
[M+HCOO]-	475.202061	196.3
[M+CH3COO]-	489.217711	203.4
[M+Na-2H]-	451.178526	207.6
[M]+	430.20331142	206.5
[M]-	430.20440858	206.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.