CID 5011366

[3-amino-6-(4-bromophenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl](3-fluoro-4-methoxyphenyl)methanone

Structural Information

Molecular Formula
C22H13BrF4N2O2S
SMILES
COC1=C(C=C(C=C1)C(=O)C2=C(C3=C(S2)N=C(C=C3C(F)(F)F)C4=CC=C(C=C4)Br)N)F
InChI
InChI=1S/C22H13BrF4N2O2S/c1-31-16-7-4-11(8-14(16)24)19(30)20-18(28)17-13(22(25,26)27)9-15(29-21(17)32-20)10-2-5-12(23)6-3-10/h2-9H,28H2,1H3
InChIKey
RUGNDXHANQQVTH-UHFFFAOYSA-N
Compound name
[3-amino-6-(4-bromophenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(3-fluoro-4-methoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

523.98175 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 524.98903 206.9
[M+Na]+ 546.97097 209.2
[M+NH4]+ 542.01557 208.2
[M+K]+ 562.94491 207.8
[M-H]- 522.97447 205.6
[M+Na-2H]- 544.95642 208.3
[M]+ 523.98120 206.1
[M]- 523.98230 206.1
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

No patent data available for this compound.