CID 135427552

30156-69-5

Structural Information

Molecular Formula
C6H8N4O2S
SMILES
CSC1=NC(=C(C(=O)N1)N)C(=O)N
InChI
InChI=1S/C6H8N4O2S/c1-13-6-9-3(4(8)11)2(7)5(12)10-6/h7H2,1H3,(H2,8,11)(H,9,10,12)
InChIKey
RFKYKPKINCBVAB-UHFFFAOYSA-N
Compound name
5-amino-2-methylsulfanyl-6-oxo-1H-pyrimidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

200.0368 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.04408 139.7
[M+Na]+ 223.02602 149.2
[M-H]- 199.02952 139.4
[M+NH4]+ 218.07062 155.3
[M+K]+ 238.99996 144.8
[M+H-H2O]+ 183.03406 132.9
[M+HCOO]- 245.03500 156.2
[M+CH3COO]- 259.05065 184.7
[M+Na-2H]- 221.01147 141.2
[M]+ 200.03625 138.1
[M]- 200.03735 138.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe