CID 492863

2-[1-(3-methylfuro[2,3-c]pyridin-5-yl)ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine

Structural Information

Molecular Formula
C15H13F3N4OS
SMILES
CC1=COC2=CN=C(C=C12)C(C)SC3=NC(=CC(=N3)N)C(F)(F)F
InChI
InChI=1S/C15H13F3N4OS/c1-7-6-23-11-5-20-10(3-9(7)11)8(2)24-14-21-12(15(16,17)18)4-13(19)22-14/h3-6,8H,1-2H3,(H2,19,21,22)
InChIKey
BNOPCFBJOCQCMD-UHFFFAOYSA-N
Compound name
2-[1-(3-methylfuro[2,3-c]pyridin-5-yl)ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

354.0762 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.08348 178.0
[M+Na]+ 377.06542 190.3
[M-H]- 353.06892 179.7
[M+NH4]+ 372.11002 189.3
[M+K]+ 393.03936 184.7
[M+H-H2O]+ 337.07346 167.5
[M+HCOO]- 399.07440 189.2
[M+CH3COO]- 413.09005 188.3
[M+Na-2H]- 375.05087 179.3
[M]+ 354.07565 180.1
[M]- 354.07675 180.1
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