CID 492763

2-[1-(7-chloro-2-methyl-furo[2,3-c]pyridin-5-yl)ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine

Structural Information

Molecular Formula
C15H12ClF3N4OS
SMILES
CC1=CC2=CC(=NC(=C2O1)Cl)C(C)SC3=NC(=CC(=N3)N)C(F)(F)F
InChI
InChI=1S/C15H12ClF3N4OS/c1-6-3-8-4-9(21-13(16)12(8)24-6)7(2)25-14-22-10(15(17,18)19)5-11(20)23-14/h3-5,7H,1-2H3,(H2,20,22,23)
InChIKey
LUMPBIFKDQCMQG-UHFFFAOYSA-N
Compound name
2-[1-(7-chloro-2-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

2
Patents

388.03723 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.04451 183.8
[M+Na]+ 411.02645 197.4
[M-H]- 387.02995 185.7
[M+NH4]+ 406.07105 194.8
[M+K]+ 427.00039 190.6
[M+H-H2O]+ 371.03449 173.9
[M+HCOO]- 433.03543 190.3
[M+CH3COO]- 447.05108 193.9
[M+Na-2H]- 409.01190 184.0
[M]+ 388.03668 188.3
[M]- 388.03778 188.3
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