CID 135478869

67831-83-8

Structural Information

Molecular Formula
C7H7N3OS
SMILES
CSC1=NC2=C(C=CN2)C(=O)N1
InChI
InChI=1S/C7H7N3OS/c1-12-7-9-5-4(2-3-8-5)6(11)10-7/h2-3H,1H3,(H2,8,9,10,11)
InChIKey
YLZXOIATWSHVDK-UHFFFAOYSA-N
Compound name
2-methylsulfanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

181.03099 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.03827 135.2
[M+Na]+ 204.02021 148.4
[M+NH4]+ 199.06481 143.0
[M+K]+ 219.99415 142.3
[M-H]- 180.02371 135.1
[M+Na-2H]- 202.00566 140.2
[M]+ 181.03044 137.3
[M]- 181.03154 137.3
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