CID 492761

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

Structural Information

Molecular Formula
C14H11F3N4OS
SMILES
CC(C1=NC=C2C(=C1)C=CO2)SC3=NC(=CC(=N3)N)C(F)(F)F
InChI
InChI=1S/C14H11F3N4OS/c1-7(9-4-8-2-3-22-10(8)6-19-9)23-13-20-11(14(15,16)17)5-12(18)21-13/h2-7H,1H3,(H2,18,20,21)
InChIKey
MNFVXHMFVHIVHY-UHFFFAOYSA-N
Compound name
2-(1-furo[2,3-c]pyridin-5-ylethylsulfanyl)-6-(trifluoromethyl)pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

340.06058 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.06786 172.4
[M+Na]+ 363.04980 184.4
[M-H]- 339.05330 173.9
[M+NH4]+ 358.09440 184.1
[M+K]+ 379.02374 179.0
[M+H-H2O]+ 323.05784 162.0
[M+HCOO]- 385.05878 184.1
[M+CH3COO]- 399.07443 182.9
[M+Na-2H]- 361.03525 175.0
[M]+ 340.06003 173.8
[M]- 340.06113 173.8
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

patents stripe