CID 387143

Nsc680625

Structural Information

Molecular Formula
C16H10ClF3N2OS
SMILES
C1=CC(=CC=C1CNC(=O)C2=CC3=C(C=CS3)N=C2C(F)(F)F)Cl
InChI
InChI=1S/C16H10ClF3N2OS/c17-10-3-1-9(2-4-10)8-21-15(23)11-7-13-12(5-6-24-13)22-14(11)16(18,19)20/h1-7H,8H2,(H,21,23)
InChIKey
DPDRPUUNNNYOPH-UHFFFAOYSA-N
Compound name
N-[(4-chlorophenyl)methyl]-5-(trifluoromethyl)thieno[3,2-b]pyridine-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.01544 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.02272 177.6
[M+Na]+ 393.00466 189.3
[M-H]- 369.00816 181.2
[M+NH4]+ 388.04926 193.1
[M+K]+ 408.97860 181.5
[M+H-H2O]+ 353.01270 168.6
[M+HCOO]- 415.01364 188.2
[M+CH3COO]- 429.02929 188.5
[M+Na-2H]- 390.99011 179.5
[M]+ 370.01489 180.7
[M]- 370.01599 180.7
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.