CID 492898

6-chloro-2-(1-furo[2,3-b]pyridin-5-ylethylsulfanyl)pyrimidin-4-amine

Structural Information

Molecular Formula
C13H11ClN4OS
SMILES
CC(C1=CN=C2C(=C1)C=CO2)SC3=NC(=CC(=N3)Cl)N
InChI
InChI=1S/C13H11ClN4OS/c1-7(20-13-17-10(14)5-11(15)18-13)9-4-8-2-3-19-12(8)16-6-9/h2-7H,1H3,(H2,15,17,18)
InChIKey
KGUBLJKQCWDASP-UHFFFAOYSA-N
Compound name
6-chloro-2-(1-furo[2,3-b]pyridin-5-ylethylsulfanyl)pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

306.0342 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.04148 165.4
[M+Na]+ 329.02342 177.9
[M-H]- 305.02692 170.7
[M+NH4]+ 324.06802 179.3
[M+K]+ 344.99736 172.4
[M+H-H2O]+ 289.03146 157.7
[M+HCOO]- 351.03240 177.4
[M+CH3COO]- 365.04805 177.4
[M+Na-2H]- 327.00887 168.6
[M]+ 306.03365 171.9
[M]- 306.03475 171.9
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