CID 492861

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

Structural Information

Molecular Formula
C14H10ClF3N4OS
SMILES
CC(C1=NC=C2C(=C1)C(=CO2)C(F)(F)F)SC3=NC(=CC(=N3)Cl)N
InChI
InChI=1S/C14H10ClF3N4OS/c1-6(24-13-21-11(15)3-12(19)22-13)9-2-7-8(14(16,17)18)5-23-10(7)4-20-9/h2-6H,1H3,(H2,19,21,22)
InChIKey
BOIVECVETZIBDA-UHFFFAOYSA-N
Compound name
6-chloro-2-[1-[3-(trifluoromethyl)furo[2,3-c]pyridin-5-yl]ethylsulfanyl]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

374.0216 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.02888 178.3
[M+Na]+ 397.01082 191.5
[M-H]- 373.01432 180.0
[M+NH4]+ 392.05542 189.6
[M+K]+ 412.98476 184.9
[M+H-H2O]+ 357.01886 168.3
[M+HCOO]- 419.01980 185.2
[M+CH3COO]- 433.03545 188.6
[M+Na-2H]- 394.99627 179.7
[M]+ 374.02105 182.1
[M]- 374.02215 182.1
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