CID 1990761

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

Structural Information

Molecular Formula
C23H18F3N3OS
SMILES
CC1=C(C(=CC=C1)NC(=O)C2=C(C3=C(S2)N=C(C=C3C(F)(F)F)C4=CC=CC=C4)N)C
InChI
InChI=1S/C23H18F3N3OS/c1-12-7-6-10-16(13(12)2)28-21(30)20-19(27)18-15(23(24,25)26)11-17(29-22(18)31-20)14-8-4-3-5-9-14/h3-11H,27H2,1-2H3,(H,28,30)
InChIKey
MIAVSRWLICRPHN-UHFFFAOYSA-N
Compound name
3-amino-N-(2,3-dimethylphenyl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.11227 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.11955 203.0
[M+Na]+ 464.10149 213.7
[M-H]- 440.10499 209.5
[M+NH4]+ 459.14609 214.1
[M+K]+ 480.07543 205.3
[M+H-H2O]+ 424.10953 191.9
[M+HCOO]- 486.11047 217.3
[M+CH3COO]- 500.12612 212.1
[M+Na-2H]- 462.08694 202.1
[M]+ 441.11172 203.4
[M]- 441.11282 203.4
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

No patent data available for this compound.