CID 3005150

4,6-diamino-2-mercapto-5-nitrosopyrimidine

Structural Information

Molecular Formula
C4H5N5OS
SMILES
C1(=C(NC(=S)N=C1N)N)N=O
InChI
InChI=1S/C4H5N5OS/c5-2-1(9-10)3(6)8-4(11)7-2/h(H5,5,6,7,8,11)
InChIKey
QGJPVLXLKRTDOI-UHFFFAOYSA-N
Compound name
4,6-diamino-5-nitroso-1H-pyrimidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

171.02148 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.02876 130.8
[M+Na]+ 194.01070 141.3
[M-H]- 170.01420 132.1
[M+NH4]+ 189.05530 148.1
[M+K]+ 209.98464 137.0
[M+H-H2O]+ 154.01874 123.7
[M+HCOO]- 216.01968 151.2
[M+CH3COO]- 230.03533 183.1
[M+Na-2H]- 191.99615 135.2
[M]+ 171.02093 128.8
[M]- 171.02203 128.8
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