CID 3043569

Brn 3981078

Structural Information

Molecular Formula
C12H14N4O2S
SMILES
CC1=NC(=C(C=C1)S)NC2=CC(=NC(=N2)OC)OC
InChI
InChI=1S/C12H14N4O2S/c1-7-4-5-8(19)11(13-7)14-9-6-10(17-2)16-12(15-9)18-3/h4-6,19H,1-3H3,(H,13,14,15,16)
InChIKey
PUSBZEZQSRLMEY-UHFFFAOYSA-N
Compound name
2-[(2,6-dimethoxypyrimidin-4-yl)amino]-6-methylpyridine-3-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.08374 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.09102 162.3
[M+Na]+ 301.07296 176.7
[M+NH4]+ 296.11756 169.4
[M+K]+ 317.04690 168.3
[M-H]- 277.07646 165.6
[M+Na-2H]- 299.05841 170.1
[M]+ 278.08319 165.8
[M]- 278.08429 165.8
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.