CID 1802157

3-amino-n-(4-phenyl-1,3-thiazol-2-yl)-6-(2-thienyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

Structural Information

Molecular Formula
C22H13F3N4OS3
SMILES
C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=C(C4=C(S3)N=C(C=C4C(F)(F)F)C5=CC=CS5)N
InChI
InChI=1S/C22H13F3N4OS3/c23-22(24,25)12-9-13(15-7-4-8-31-15)27-20-16(12)17(26)18(33-20)19(30)29-21-28-14(10-32-21)11-5-2-1-3-6-11/h1-10H,26H2,(H,28,29,30)
InChIKey
SVLLMPXGVBSFPC-UHFFFAOYSA-N
Compound name
3-amino-N-(4-phenyl-1,3-thiazol-2-yl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

502.02036 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.02764 199.4
[M+Na]+ 525.00958 208.7
[M+NH4]+ 520.05418 205.0
[M+K]+ 540.98352 202.7
[M-H]- 501.01308 202.4
[M+Na-2H]- 522.99503 206.0
[M]+ 502.01981 202.6
[M]- 502.02091 202.6
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.