CID 135746661

Brn 3973771

Structural Information

Molecular Formula
C10H11N5OS
SMILES
CC1=NC(=C(C=C1)S)NC2=CC(=O)NC(=N2)N
InChI
InChI=1S/C10H11N5OS/c1-5-2-3-6(17)9(12-5)13-7-4-8(16)15-10(11)14-7/h2-4,17H,1H3,(H4,11,12,13,14,15,16)
InChIKey
DFILOWKBJASVIL-UHFFFAOYSA-N
Compound name
2-amino-4-[(6-methyl-3-sulfanylpyridin-2-yl)amino]-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.06844 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.07572 153.1
[M+Na]+ 272.05766 166.1
[M+NH4]+ 267.10226 159.7
[M+K]+ 288.03160 158.7
[M-H]- 248.06116 156.2
[M+Na-2H]- 270.04311 160.3
[M]+ 249.06789 156.1
[M]- 249.06899 156.1
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

No patent data available for this compound.