CID 3050490

66505-62-2

Structural Information

Molecular Formula
C9H11N3OS
SMILES
CCSC1=NC(=C2C(=COC2=N1)C)N
InChI
InChI=1S/C9H11N3OS/c1-3-14-9-11-7(10)6-5(2)4-13-8(6)12-9/h4H,3H2,1-2H3,(H2,10,11,12)
InChIKey
KZDDDJLPNFCBOY-UHFFFAOYSA-N
Compound name
2-ethylsulfanyl-5-methylfuro[2,3-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

209.06229 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.069566 142.2
[M+Na]+ 232.051508 154.7
[M-H]- 208.055014 145.8
[M+NH4]+ 227.096113 161.2
[M+K]+ 248.025448 151.8
[M+H-H2O]+ 192.059550 136.0
[M+HCOO]- 254.060491 161.0
[M+CH3COO]- 268.076141 156.3
[M+Na-2H]- 230.036956 146.7
[M]+ 209.06174142 148.0
[M]- 209.06283858 148.0
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