CID 9565

Glymidine

Structural Information

Molecular Formula

C₁₃H₁₅N₃O₄S

SMILES

COCCOC1=CN=C(N=C1)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H15N3O4S/c1-19-7-8-20-11-9-14-13(15-10-11)16-21(17,18)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,14,15,16)

InChIKey

QFWPJPIVLCBXFJ-UHFFFAOYSA-N

Compound name

N-[5-(2-methoxyethoxy)pyrimidin-2-yl]benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 11
References: 18589
Patents: 309.07834 Da
Monoisotopic Mass: 0.9
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]+	310.08562	167.4
[M+Na]+	332.06756	179.3
[M+NH4]+	327.11216	173.1
[M+K]+	348.04150	172.1
[M-H]-	308.07106	169.1
[M+Na-2H]-	330.05301	175.1
[M]+	309.07779	169.9
[M]-	309.07889	169.9

Literature stripe

literature stripe

Patent stripe

patents stripe