CID 330486

4,4'-bis(2-amino-6-methylpyrimidyl) disulfide

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

31
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 157.4
[M+Na]+ 303.04572 168.6
[M-H]- 279.04922 158.7
[M+NH4]+ 298.09032 168.5
[M+K]+ 319.01966 160.4
[M+H-H2O]+ 263.05376 149.2
[M+HCOO]- 325.05470 167.9
[M+CH3COO]- 339.07035 167.7
[M+Na-2H]- 301.03117 159.0
[M]+ 280.05595 158.0
[M]- 280.05705 158.0
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

patents stripe