CID 135418977

37660-22-3

Structural Information

Molecular Formula
C6H9N3OS
SMILES
CCSC1=NC(=CC(=O)N1)N
InChI
InChI=1S/C6H9N3OS/c1-2-11-6-8-4(7)3-5(10)9-6/h3H,2H2,1H3,(H3,7,8,9,10)
InChIKey
OYIIQANZEPCOQV-UHFFFAOYSA-N
Compound name
4-amino-2-ethylsulfanyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

24
Patents

171.04663 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.05391 133.6
[M+Na]+ 194.03585 145.3
[M+NH4]+ 189.08045 141.1
[M+K]+ 210.00979 138.1
[M-H]- 170.03935 134.5
[M+Na-2H]- 192.02130 138.8
[M]+ 171.04608 135.7
[M]- 171.04718 135.7
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