CID 838363

113583-35-0

Structural Information

Molecular Formula

C₇H₁₀N₂O₄S

SMILES

COC1=CC(=NC(=N1)S(=O)(=O)C)OC

InChI

InChI=1S/C7H10N2O4S/c1-12-5-4-6(13-2)9-7(8-5)14(3,10)11/h4H,1-3H3

InChIKey

ITDVJJVNAASTRS-UHFFFAOYSA-N

Compound name

4,6-dimethoxy-2-methylsulfonylpyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 937
Patents: 218.03613 Da
Monoisotopic Mass: 0.4
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]+	219.04341	142.6
[M+Na]+	241.02535	153.3
[M-H]-	217.02885	144.6
[M+NH4]+	236.06995	159.3
[M+K]+	256.99929	151.7
[M+H-H2O]+	201.03339	136.0
[M+HCOO]-	263.03433	159.6
[M+CH3COO]-	277.04998	183.7
[M+Na-2H]-	239.01080	147.9
[M]+	218.03558	149.3
[M]-	218.03668	149.3

Literature stripe

literature stripe

Patent stripe

patents stripe