CID 492860

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

Structural Information

Molecular Formula
C14H9Cl2F3N4OS
SMILES
CC(C1=NC(=C2C(=C1)C(=CO2)C(F)(F)F)Cl)SC3=NC(=CC(=N3)Cl)N
InChI
InChI=1S/C14H9Cl2F3N4OS/c1-5(25-13-22-9(15)3-10(20)23-13)8-2-6-7(14(17,18)19)4-24-11(6)12(16)21-8/h2-5H,1H3,(H2,20,22,23)
InChIKey
NJWNAPPMFURJPZ-UHFFFAOYSA-N
Compound name
6-chloro-2-[1-[7-chloro-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

6
Patents

407.98264 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.98992 183.2
[M+Na]+ 430.97186 197.1
[M-H]- 406.97536 184.5
[M+NH4]+ 426.01646 193.9
[M+K]+ 446.94580 190.0
[M+H-H2O]+ 390.97990 173.8
[M+HCOO]- 452.98084 185.0
[M+CH3COO]- 466.99649 192.9
[M+Na-2H]- 428.95731 183.2
[M]+ 407.98209 188.4
[M]- 407.98319 188.4
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