CID 2738744

Hms1668c06

Structural Information

Molecular Formula

C₁₄H₂₁N₃O₄S

SMILES

C1CC(OC1)CNS(=O)(=O)C2=CN=C(C=C2)N3CCOCC3

InChI

InChI=1S/C14H21N3O4S/c18-22(19,16-10-12-2-1-7-21-12)13-3-4-14(15-11-13)17-5-8-20-9-6-17/h3-4,11-12,16H,1-2,5-10H2

InChIKey

YTDRRDTWJJUSDO-UHFFFAOYSA-N

Compound name

6-morpholin-4-yl-N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 0
Patents: 327.12527 Da
Monoisotopic Mass: 0.3
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]+	328.132546	172.3
[M+Na]+	350.114488	176.4
[M-H]-	326.117994	179.6
[M+NH4]+	345.159093	182.1
[M+K]+	366.088428	175.5
[M+H-H2O]+	310.122530	164.1
[M+HCOO]-	372.123471	183.5
[M+CH3COO]-	386.139121	202.5
[M+Na-2H]-	348.099936	174.9
[M]+	327.12472142	170.5
[M]-	327.12581858	170.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.