CID 478117

284681-95-4

Structural Information

Molecular Formula
C14H17N3S2
SMILES
CCCCSC1=NC(=CC(=N1)SC2=CC=CC=C2)N
InChI
InChI=1S/C14H17N3S2/c1-2-3-9-18-14-16-12(15)10-13(17-14)19-11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3,(H2,15,16,17)
InChIKey
AGQUGFOFTNODQE-UHFFFAOYSA-N
Compound name
2-butylsulfanyl-6-phenylsulfanylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

291.0864 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.09368 160.8
[M+Na]+ 314.07562 169.3
[M-H]- 290.07912 164.0
[M+NH4]+ 309.12022 174.2
[M+K]+ 330.04956 161.6
[M+H-H2O]+ 274.08366 152.5
[M+HCOO]- 336.08460 172.4
[M+CH3COO]- 350.10025 171.2
[M+Na-2H]- 312.06107 162.2
[M]+ 291.08585 162.8
[M]- 291.08695 162.8
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.