CID 5268062

627840-82-8

Structural Information

Molecular Formula

C₉H₁₃N₃O₃S

SMILES

C1COCCN1S(=O)(=O)C2=CN=C(C=C2)N

InChI

InChI=1S/C9H13N3O3S/c10-9-2-1-8(7-11-9)16(13,14)12-3-5-15-6-4-12/h1-2,7H,3-6H2,(H2,10,11)

InChIKey

YFLUKCFVYCDJCM-UHFFFAOYSA-N

Compound name

5-morpholin-4-ylsulfonylpyridin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 243.06776 Da
Monoisotopic Mass: -0.7
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]+	244.07504	151.0
[M+Na]+	266.05698	157.8
[M-H]-	242.06048	154.9
[M+NH4]+	261.10158	163.9
[M+K]+	282.03092	155.6
[M+H-H2O]+	226.06502	143.0
[M+HCOO]-	288.06596	164.1
[M+CH3COO]-	302.08161	187.8
[M+Na-2H]-	264.04243	156.0
[M]+	243.06721	148.8
[M]-	243.06831	148.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe