CID 5139555

7151-37-3

Structural Information

Molecular Formula
C6H4N4O3S
SMILES
C12=C(NC(=O)C(=O)N1)NC(=S)NC2=O
InChI
InChI=1S/C6H4N4O3S/c11-3-1-2(9-6(14)10-3)8-5(13)4(12)7-1/h(H,7,12)(H3,8,9,10,11,13,14)
InChIKey
UEZBHKPTGCRMIA-UHFFFAOYSA-N
Compound name
2-sulfanylidene-5,8-dihydro-1H-pteridine-4,6,7-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.00041 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.00769 142.5
[M+Na]+ 234.98963 155.5
[M+NH4]+ 230.03423 147.1
[M+K]+ 250.96357 149.5
[M-H]- 210.99313 139.7
[M+Na-2H]- 232.97508 145.3
[M]+ 211.99986 143.5
[M]- 212.00096 143.5
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

No patent data available for this compound.