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

67
Patents

221.02188 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.02916 141.4
[M+Na]+ 244.01110 150.8
[M-H]- 220.01460 140.8
[M+NH4]+ 239.05570 155.3
[M+K]+ 259.98504 147.4
[M+H-H2O]+ 204.01914 134.4
[M+HCOO]- 266.02008 158.6
[M+CH3COO]- 280.03573 188.0
[M+Na-2H]- 241.99655 145.7
[M]+ 221.02133 140.0
[M]- 221.02243 140.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe