CID 492862

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

Structural Information

Molecular Formula
C15H9ClF6N4OS
SMILES
CC(C1=NC(=C2C(=C1)C(=CO2)C(F)(F)F)Cl)SC3=NC(=CC(=N3)N)C(F)(F)F
InChI
InChI=1S/C15H9ClF6N4OS/c1-5(28-13-25-9(15(20,21)22)3-10(23)26-13)8-2-6-7(14(17,18)19)4-27-11(6)12(16)24-8/h2-5H,1H3,(H2,23,25,26)
InChIKey
OEVTYMPRILNYSQ-UHFFFAOYSA-N
Compound name
2-[1-[7-chloro-3-(trifluoromethyl)furo[2,3-c]pyridin-5-yl]ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

442.00897 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.01625 191.1
[M+Na]+ 464.99819 204.9
[M-H]- 441.00169 189.3
[M+NH4]+ 460.04279 199.8
[M+K]+ 480.97213 197.5
[M+H-H2O]+ 425.00623 178.9
[M+HCOO]- 487.00717 193.0
[M+CH3COO]- 501.02282 226.3
[M+Na-2H]- 462.98364 190.9
[M]+ 442.00842 191.7
[M]- 442.00952 191.7
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