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 153.8
[M+Na]+ 272.05766 164.4
[M-H]- 248.06116 156.1
[M+NH4]+ 267.10226 166.6
[M+K]+ 288.03160 157.8
[M+H-H2O]+ 232.06570 145.4
[M+HCOO]- 294.06664 170.6
[M+CH3COO]- 308.08229 165.1
[M+Na-2H]- 270.04311 157.7
[M]+ 249.06789 153.2
[M]- 249.06899 153.2
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.