CID 6486016

874594-02-2

Structural Information

Molecular Formula

C₁₂H₁₆N₂O₃S

SMILES

C1CNC2=C1C=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C12H16N2O3S/c15-18(16,14-5-7-17-8-6-14)11-1-2-12-10(9-11)3-4-13-12/h1-2,9,13H,3-8H2

InChIKey

JZVUZORSHCTUTB-UHFFFAOYSA-N

Compound name

4-(2,3-dihydro-1H-indol-5-ylsulfonyl)morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 268.08817 Da
Monoisotopic Mass: 1.0
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]+	269.095446	157.8
[M+Na]+	291.077388	164.5
[M-H]-	267.080894	161.4
[M+NH4]+	286.121993	172.6
[M+K]+	307.051328	161.6
[M+H-H2O]+	251.085430	151.3
[M+HCOO]-	313.086371	167.6
[M+CH3COO]-	327.102021	168.2
[M+Na-2H]-	289.062836	161.1
[M]+	268.08762142	155.3
[M]-	268.08871858	155.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.