CID 135408765

6-amino-2-(methylsulfanyl)-5-nitroso-3,4-dihydropyrimidin-4-one

Structural Information

Molecular Formula
C5H6N4O2S
SMILES
CSC1=NC(=C(C(=O)N1)N=O)N
InChI
InChI=1S/C5H6N4O2S/c1-12-5-7-3(6)2(9-11)4(10)8-5/h1H3,(H3,6,7,8,10)
InChIKey
XKAYRHLZQHITSP-UHFFFAOYSA-N
Compound name
4-amino-2-methylsulfanyl-5-nitroso-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

186.02115 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.02843 134.3
[M+Na]+ 209.01037 145.0
[M-H]- 185.01387 136.0
[M+NH4]+ 204.05497 151.6
[M+K]+ 224.98431 141.5
[M+H-H2O]+ 169.01841 127.2
[M+HCOO]- 231.01935 154.2
[M+CH3COO]- 245.03500 183.7
[M+Na-2H]- 206.99582 138.8
[M]+ 186.02060 135.8
[M]- 186.02170 135.8
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