CID 2187682

92629-37-3

Structural Information

Molecular Formula
C12H18N8S2
SMILES
C1=C(N=C(N=C1N)SCCCCSC2=NC(=CC(=N2)N)N)N
InChI
InChI=1S/C12H18N8S2/c13-7-5-8(14)18-11(17-7)21-3-1-2-4-22-12-19-9(15)6-10(16)20-12/h5-6H,1-4H2,(H4,13,14,17,18)(H4,15,16,19,20)
InChIKey
PIMXWBXDJGYCAJ-UHFFFAOYSA-N
Compound name
2-[4-(4,6-diaminopyrimidin-2-yl)sulfanylbutylsulfanyl]pyrimidine-4,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

338.1096 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.11688 167.7
[M+Na]+ 361.09882 176.3
[M-H]- 337.10232 167.5
[M+NH4]+ 356.14342 175.3
[M+K]+ 377.07276 166.7
[M+H-H2O]+ 321.10686 158.7
[M+HCOO]- 383.10780 178.4
[M+CH3COO]- 397.12345 175.8
[M+Na-2H]- 359.08427 169.2
[M]+ 338.10905 165.8
[M]- 338.11015 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

patents stripe