CID 3071111

87296-77-3

Structural Information

Molecular Formula
C8H8N4O4S
SMILES
C1=CC2=C(C=C1S(=O)(=O)N)C(=O)N(C(=O)N2)N
InChI
InChI=1S/C8H8N4O4S/c9-12-7(13)5-3-4(17(10,15)16)1-2-6(5)11-8(12)14/h1-3H,9H2,(H,11,14)(H2,10,15,16)
InChIKey
OJECDGNBGQOYBJ-UHFFFAOYSA-N
Compound name
3-amino-2,4-dioxo-1H-quinazoline-6-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.0266 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.03388 151.0
[M+Na]+ 279.01582 162.4
[M-H]- 255.01932 151.9
[M+NH4]+ 274.06042 165.3
[M+K]+ 294.98976 157.1
[M+H-H2O]+ 239.02386 144.5
[M+HCOO]- 301.02480 166.8
[M+CH3COO]- 315.04045 192.6
[M+Na-2H]- 277.00127 156.9
[M]+ 256.02605 151.1
[M]- 256.02715 151.1
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

No patent data available for this compound.