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

2
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 154.3
[M+Na]+ 289.99880 163.6
[M-H]- 266.00230 154.1
[M+NH4]+ 285.04340 166.7
[M+K]+ 305.97274 158.0
[M+H-H2O]+ 250.00684 147.3
[M+HCOO]- 312.00778 165.4
[M+CH3COO]- 326.02343 196.6
[M+Na-2H]- 287.98425 157.8
[M]+ 267.00903 153.3
[M]- 267.01013 153.3
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