CID 295769

4-amino-2-(methylthio)pyrimidine-5-carbaldehyde

Structural Information

Molecular Formula
C6H7N3OS
SMILES
CSC1=NC=C(C(=N1)N)C=O
InChI
InChI=1S/C6H7N3OS/c1-11-6-8-2-4(3-10)5(7)9-6/h2-3H,1H3,(H2,7,8,9)
InChIKey
FGONQMFYFJRAIG-UHFFFAOYSA-N
Compound name
4-amino-2-methylsulfanylpyrimidine-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

489
Patents

169.03099 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.03827 133.2
[M+Na]+ 192.02021 145.5
[M+NH4]+ 187.06481 141.0
[M+K]+ 207.99415 138.0
[M-H]- 168.02371 134.6
[M+Na-2H]- 190.00566 139.0
[M]+ 169.03044 135.7
[M]- 169.03154 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