CID 3067470

Brn 5571913

Structural Information

Molecular Formula
C11H13N5S2
SMILES
CC1=NC(=C(C=C1)S)NC2=NC(=NC(=C2)N)SC
InChI
InChI=1S/C11H13N5S2/c1-6-3-4-7(17)10(13-6)15-9-5-8(12)14-11(16-9)18-2/h3-5,17H,1-2H3,(H3,12,13,14,15,16)
InChIKey
VFDXJOUOYOTEFU-UHFFFAOYSA-N
Compound name
2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)amino]-6-methylpyridine-3-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.06125 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.06853 157.2
[M+Na]+ 302.05047 167.9
[M-H]- 278.05397 160.1
[M+NH4]+ 297.09507 170.0
[M+K]+ 318.02441 160.1
[M+H-H2O]+ 262.05851 149.1
[M+HCOO]- 324.05945 169.2
[M+CH3COO]- 338.07510 168.1
[M+Na-2H]- 300.03592 159.3
[M]+ 279.06070 158.7
[M]- 279.06180 158.7
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.