CID 475294

Schembl8177548

Structural Information

Molecular Formula
C15H16N4OS2
SMILES
CC1=COC2=CN=C(C=C12)[C@H](C)SC3=NC(=CC(=N3)SC)N
InChI
InChI=1S/C15H16N4OS2/c1-8-7-20-12-6-17-11(4-10(8)12)9(2)22-15-18-13(16)5-14(19-15)21-3/h4-7,9H,1-3H3,(H2,16,18,19)/t9-/m0/s1
InChIKey
WQJXFSCDJWDIDV-VIFPVBQESA-N
Compound name
2-[(1S)-1-(3-methylfuro[2,3-c]pyridin-5-yl)ethyl]sulfanyl-6-methylsulfanylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

332.07657 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.08385 172.2
[M+Na]+ 355.06579 184.6
[M-H]- 331.06929 177.4
[M+NH4]+ 350.11039 185.0
[M+K]+ 371.03973 178.6
[M+H-H2O]+ 315.07383 165.2
[M+HCOO]- 377.07477 183.1
[M+CH3COO]- 391.09042 183.5
[M+Na-2H]- 353.05124 172.8
[M]+ 332.07602 178.8
[M]- 332.07712 178.8
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

No patent data available for this compound.