CID 330486

69945-13-7

Structural Information

Molecular Formula
C10H12N6S2
SMILES
CC1=CC(=NC(=N1)N)SSC2=NC(=NC(=C2)C)N
InChI
InChI=1S/C10H12N6S2/c1-5-3-7(15-9(11)13-5)17-18-8-4-6(2)14-10(12)16-8/h3-4H,1-2H3,(H2,11,13,15)(H2,12,14,16)
InChIKey
CLAPOZGLYFFUHA-UHFFFAOYSA-N
Compound name
4-[(2-amino-6-methylpyrimidin-4-yl)disulfanyl]-6-methylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

280.0565 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.06378 157.8
[M+Na]+ 303.04572 170.6
[M+NH4]+ 298.09032 164.9
[M+K]+ 319.01966 161.2
[M-H]- 279.04922 161.4
[M+Na-2H]- 301.03117 164.4
[M]+ 280.05595 161.5
[M]- 280.05705 161.5
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

patents stripe