CID 2740421

Maybridge4_003903

Structural Information

Molecular Formula
C10H9N5S
SMILES
C1=CN=CC=C1C2=NC=C(C(=N2)N)C(=S)N
InChI
InChI=1S/C10H9N5S/c11-8-7(9(12)16)5-14-10(15-8)6-1-3-13-4-2-6/h1-5H,(H2,12,16)(H2,11,14,15)
InChIKey
AWCNBXLYCVAMPT-UHFFFAOYSA-N
Compound name
4-amino-2-pyridin-4-ylpyrimidine-5-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

231.05786 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.065136 148.8
[M+Na]+ 254.047078 158.1
[M-H]- 230.050584 151.4
[M+NH4]+ 249.091683 162.3
[M+K]+ 270.021018 152.0
[M+H-H2O]+ 214.055120 140.2
[M+HCOO]- 276.056061 165.5
[M+CH3COO]- 290.071711 160.1
[M+Na-2H]- 252.032526 152.7
[M]+ 231.05731142 146.4
[M]- 231.05840858 146.4
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

No patent data available for this compound.