CID 3078954

1,3-bis(4-aminopyrimidinyl-2-thio)propane

Structural Information

Molecular Formula
C11H14N6S2
SMILES
C1=CN=C(N=C1N)SCCCSC2=NC=CC(=N2)N
InChI
InChI=1S/C11H14N6S2/c12-8-2-4-14-10(16-8)18-6-1-7-19-11-15-5-3-9(13)17-11/h2-5H,1,6-7H2,(H2,12,14,16)(H2,13,15,17)
InChIKey
VKOJMFASCCFCKW-UHFFFAOYSA-N
Compound name
2-[3-(4-aminopyrimidin-2-yl)sulfanylpropylsulfanyl]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.07214 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.07942 158.6
[M+Na]+ 317.06136 170.6
[M+NH4]+ 312.10596 165.6
[M+K]+ 333.03530 160.8
[M-H]- 293.06486 162.0
[M+Na-2H]- 315.04681 165.7
[M]+ 294.07159 162.0
[M]- 294.07269 162.0
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

No patent data available for this compound.