CID 1802152

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

Structural Information

Molecular Formula
C24H15F3N4OS2
SMILES
C1=CC=C(C=C1)C2=NC3=C(C(=C2)C(F)(F)F)C(=C(S3)C(=O)NC4=NC(=CS4)C5=CC=CC=C5)N
InChI
InChI=1S/C24H15F3N4OS2/c25-24(26,27)15-11-16(13-7-3-1-4-8-13)29-22-18(15)19(28)20(34-22)21(32)31-23-30-17(12-33-23)14-9-5-2-6-10-14/h1-12H,28H2,(H,30,31,32)
InChIKey
YZDJVOQSLGGRSF-UHFFFAOYSA-N
Compound name
3-amino-6-phenyl-N-(4-phenyl-1,3-thiazol-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

496.06393 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.07121 208.8
[M+Na]+ 519.05315 220.4
[M-H]- 495.05665 217.4
[M+NH4]+ 514.09775 218.4
[M+K]+ 535.02709 211.0
[M+H-H2O]+ 479.06119 199.3
[M+HCOO]- 541.06213 219.4
[M+CH3COO]- 555.07778 217.3
[M+Na-2H]- 517.03860 207.9
[M]+ 496.06338 210.3
[M]- 496.06448 210.3
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.