CID 96517

74039-23-9

Structural Information

Molecular Formula
C5H9N5O4S2
SMILES
CS(=O)(=O)C1=NC(=C(C(=N1)N)S(=O)(=O)N)N
InChI
InChI=1S/C5H9N5O4S2/c1-15(11,12)5-9-3(6)2(4(7)10-5)16(8,13)14/h1H3,(H2,8,13,14)(H4,6,7,9,10)
InChIKey
FWSOOFXSPYJIQS-UHFFFAOYSA-N
Compound name
4,6-diamino-2-methylsulfonylpyrimidine-5-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

267.00958 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.01686 155.8
[M+Na]+ 289.99880 162.2
[M+NH4]+ 285.04340 159.4
[M+K]+ 305.97274 158.5
[M-H]- 266.00230 153.9
[M+Na-2H]- 287.98425 157.3
[M]+ 267.00903 156.5
[M]- 267.01013 156.5
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