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 161.5
[M+Na]+ 301.07296 171.9
[M-H]- 277.07646 165.3
[M+NH4]+ 296.11756 174.4
[M+K]+ 317.04690 167.5
[M+H-H2O]+ 261.08100 152.4
[M+HCOO]- 323.08194 178.8
[M+CH3COO]- 337.09759 201.5
[M+Na-2H]- 299.05841 165.2
[M]+ 278.08319 167.0
[M]- 278.08429 167.0
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.