CID 3043796

3-pyridinecarboxamide, n-((4-((3-(trifluoromethyl)phenyl)amino)-3-pyridinyl)sulfonyl)-

Structural Information

Molecular Formula
C18H13F3N4O3S
SMILES
C1=CC(=CC(=C1)NC2=C(C=NC=C2)S(=O)(=O)NC(=O)C3=CN=CC=C3)C(F)(F)F
InChI
InChI=1S/C18H13F3N4O3S/c19-18(20,21)13-4-1-5-14(9-13)24-15-6-8-23-11-16(15)29(27,28)25-17(26)12-3-2-7-22-10-12/h1-11H,(H,23,24)(H,25,26)
InChIKey
GFIQANCWIMJXOW-UHFFFAOYSA-N
Compound name
N-[4-[3-(trifluoromethyl)anilino]pyridin-3-yl]sulfonylpyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.06604 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.07332 192.0
[M+Na]+ 445.05526 199.3
[M-H]- 421.05876 195.3
[M+NH4]+ 440.09986 198.3
[M+K]+ 461.02920 192.5
[M+H-H2O]+ 405.06330 179.2
[M+HCOO]- 467.06424 204.3
[M+CH3COO]- 481.07989 223.6
[M+Na-2H]- 443.04071 197.4
[M]+ 422.06549 189.4
[M]- 422.06659 189.4
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.