CID 13285556

Brn 4207688

Structural Information

Molecular Formula
C14H22N8S2
SMILES
C1=C(N=C(N=C1N)SCCCCCCSC2=NC(=CC(=N2)N)N)N
InChI
InChI=1S/C14H22N8S2/c15-9-7-10(16)20-13(19-9)23-5-3-1-2-4-6-24-14-21-11(17)8-12(18)22-14/h7-8H,1-6H2,(H4,15,16,19,20)(H4,17,18,21,22)
InChIKey
YNLRQISPELDUTM-UHFFFAOYSA-N
Compound name
2-[6-(4,6-diaminopyrimidin-2-yl)sulfanylhexylsulfanyl]pyrimidine-4,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.1409 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.14818 174.8
[M+Na]+ 389.13012 182.4
[M-H]- 365.13362 174.2
[M+NH4]+ 384.17472 181.3
[M+K]+ 405.10406 172.5
[M+H-H2O]+ 349.13816 165.5
[M+HCOO]- 411.13910 184.9
[M+CH3COO]- 425.15475 223.5
[M+Na-2H]- 387.11557 175.6
[M]+ 366.14035 173.6
[M]- 366.14145 173.6
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.