CID 5484337

1h-purine-6-sulfonamide, n-methyl-

Structural Information

Molecular Formula

C₆H₇N₅O₂S

SMILES

CNS(=O)(=O)C1=NC=NC2=C1NC=N2

InChI

InChI=1S/C6H7N5O2S/c1-7-14(12,13)6-4-5(9-2-8-4)10-3-11-6/h2-3,7H,1H3,(H,8,9,10,11)

InChIKey

VPCUMYLNUQZDQS-UHFFFAOYSA-N

Compound name

N-methyl-7H-purine-6-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 213.03204 Da
Monoisotopic Mass: -0.6
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]+	214.03932	142.4
[M+Na]+	236.02126	154.5
[M-H]-	212.02476	141.8
[M+NH4]+	231.06586	158.5
[M+K]+	251.99520	150.3
[M+H-H2O]+	196.02930	135.6
[M+HCOO]-	258.03024	158.5
[M+CH3COO]-	272.04589	180.9
[M+Na-2H]-	234.00671	150.4
[M]+	213.03149	145.3
[M]-	213.03259	145.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe