CID 10061827

Microxine

Structural Information

Molecular Formula

C₈H₁₁N₅O₄S

SMILES

CN1C2=C(NC1=O)N=CN=C2NCCS(=O)(=O)O

InChI

InChI=1S/C8H11N5O4S/c1-13-5-6(9-2-3-18(15,16)17)10-4-11-7(5)12-8(13)14/h4H,2-3H2,1H3,(H,15,16,17)(H2,9,10,11,12,14)

InChIKey

OTYWCUOKKIHICD-UHFFFAOYSA-N

Compound name

2-[(7-methyl-8-oxo-9H-purin-6-yl)amino]ethanesulfonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 273.05316 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]+	274.06044	157.8
[M+Na]+	296.04238	169.8
[M-H]-	272.04588	156.2
[M+NH4]+	291.08698	170.9
[M+K]+	312.01632	164.8
[M+H-H2O]+	256.05042	151.3
[M+HCOO]-	318.05136	172.1
[M+CH3COO]-	332.06701	190.8
[M+Na-2H]-	294.02783	163.5
[M]+	273.05261	162.3
[M]-	273.05371	162.3

Literature stripe

literature stripe

Patent stripe

patents stripe