CID 4692122

331466-65-0

Structural Information

Molecular Formula
C19H11ClF3N3OS2
SMILES
C1=CSC(=C1)C2=NC3=C(C(=C2)C(F)(F)F)C(=C(S3)C(=O)NC4=CC=C(C=C4)Cl)N
InChI
InChI=1S/C19H11ClF3N3OS2/c20-9-3-5-10(6-4-9)25-17(27)16-15(24)14-11(19(21,22)23)8-12(26-18(14)29-16)13-2-1-7-28-13/h1-8H,24H2,(H,25,27)
InChIKey
JOZJZRKUXHZFJE-UHFFFAOYSA-N
Compound name
3-amino-N-(4-chlorophenyl)-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

452.9984 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.00568 197.2
[M+Na]+ 475.98762 209.8
[M-H]- 451.99112 204.1
[M+NH4]+ 471.03222 211.2
[M+K]+ 491.96156 200.8
[M+H-H2O]+ 435.99566 189.6
[M+HCOO]- 497.99660 204.5
[M+CH3COO]- 512.01225 207.0
[M+Na-2H]- 473.97307 195.5
[M]+ 452.99785 201.0
[M]- 452.99895 201.0
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.