CID 1022440

3-amino-n-(4-methoxyphenyl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

Structural Information

Molecular Formula
C22H16F3N3O2S
SMILES
COC1=CC=C(C=C1)NC(=O)C2=C(C3=C(S2)N=C(C=C3C(F)(F)F)C4=CC=CC=C4)N
InChI
InChI=1S/C22H16F3N3O2S/c1-30-14-9-7-13(8-10-14)27-20(29)19-18(26)17-15(22(23,24)25)11-16(28-21(17)31-19)12-5-3-2-4-6-12/h2-11H,26H2,1H3,(H,27,29)
InChIKey
QIJQVMLMRVVQNX-UHFFFAOYSA-N
Compound name
3-amino-N-(4-methoxyphenyl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

443.09152 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.09880 197.2
[M+Na]+ 466.08074 207.6
[M+NH4]+ 461.12534 202.1
[M+K]+ 482.05468 201.2
[M-H]- 442.08424 198.9
[M+Na-2H]- 464.06619 203.7
[M]+ 443.09097 199.4
[M]- 443.09207 199.4
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