CID 475295

2-((s)-1-furo[2,3-c]pyridin-5-yl-ethylsulfanyl)-6-methylsulfanyl-pyrimidin-4-ylamine

Structural Information

Molecular Formula
C14H14N4OS2
SMILES
C[C@@H](C1=NC=C2C(=C1)C=CO2)SC3=NC(=CC(=N3)SC)N
InChI
InChI=1S/C14H14N4OS2/c1-8(10-5-9-3-4-19-11(9)7-16-10)21-14-17-12(15)6-13(18-14)20-2/h3-8H,1-2H3,(H2,15,17,18)/t8-/m0/s1
InChIKey
DTJCGKGFVHTNSY-QMMMGPOBSA-N
Compound name
2-[(1S)-1-furo[2,3-c]pyridin-5-ylethyl]sulfanyl-6-methylsulfanylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

318.0609 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.06818 167.1
[M+Na]+ 341.05012 179.2
[M-H]- 317.05362 172.2
[M+NH4]+ 336.09472 180.3
[M+K]+ 357.02406 173.5
[M+H-H2O]+ 301.05816 160.1
[M+HCOO]- 363.05910 178.5
[M+CH3COO]- 377.07475 178.6
[M+Na-2H]- 339.03557 168.9
[M]+ 318.06035 173.0
[M]- 318.06145 173.0
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