CID 3000871

Zp0rgp9m3i

Structural Information

Molecular Formula
C10H12N6OS
SMILES
COC1=CC=C(C(=S)N1)NC2=NC(=NC(=C2)N)N
InChI
InChI=1S/C10H12N6OS/c1-17-8-3-2-5(9(18)16-8)13-7-4-6(11)14-10(12)15-7/h2-4H,1H3,(H,16,18)(H5,11,12,13,14,15)
InChIKey
VKBYTEPGLCNQQT-UHFFFAOYSA-N
Compound name
3-[(2,6-diaminopyrimidin-4-yl)amino]-6-methoxy-1H-pyridine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.0793 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.08658 155.5
[M+Na]+ 287.06852 166.9
[M+NH4]+ 282.11312 161.4
[M+K]+ 303.04246 160.3
[M-H]- 263.07202 158.7
[M+Na-2H]- 285.05397 162.1
[M]+ 264.07875 158.1
[M]- 264.07985 158.1
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.