CID 74142

2,5,6-triaminopyrimidin-4-ol sulphate

Structural Information

Molecular Formula

C₄H₇N₅O₄S

SMILES

C1(=C(N=C(N=C1OS(=O)(=O)O)N)N)N

InChI

InChI=1S/C4H7N5O4S/c5-1-2(6)8-4(7)9-3(1)13-14(10,11)12/h5H2,(H,10,11,12)(H4,6,7,8,9)

InChIKey

DJUGBKWOBAOTFA-UHFFFAOYSA-N

Compound name

(2,5,6-triaminopyrimidin-4-yl) hydrogen sulfate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 151
Patents: 221.02188 Da
Monoisotopic Mass: -1.8
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]+	222.029156	141.4
[M+Na]+	244.011098	150.8
[M-H]-	220.014604	140.8
[M+NH4]+	239.055703	155.3
[M+K]+	259.985038	147.4
[M+H-H2O]+	204.019140	134.4
[M+HCOO]-	266.020081	158.6
[M+CH3COO]-	280.035731	188.0
[M+Na-2H]-	241.996546	145.7
[M]+	221.02133142	140.0
[M]-	221.02242858	140.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe