CID 3072239

Benzamide, n-(2-((methylsulfonyl)amino)-5-(trifluoromethyl)-3-pyridinyl)-3-(trifluoromethyl)-

Structural Information

Molecular Formula
C15H11F6N3O3S
SMILES
CS(=O)(=O)NC1=C(C=C(C=N1)C(F)(F)F)NC(=O)C2=CC(=CC=C2)C(F)(F)F
InChI
InChI=1S/C15H11F6N3O3S/c1-28(26,27)24-12-11(6-10(7-22-12)15(19,20)21)23-13(25)8-3-2-4-9(5-8)14(16,17)18/h2-7H,1H3,(H,22,24)(H,23,25)
InChIKey
MUOWIDVDOSRPCZ-UHFFFAOYSA-N
Compound name
N-[2-(methanesulfonamido)-5-(trifluoromethyl)pyridin-3-yl]-3-(trifluoromethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

427.04254 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.04982 187.7
[M+Na]+ 450.03176 196.1
[M-H]- 426.03526 185.6
[M+NH4]+ 445.07636 195.8
[M+K]+ 466.00570 190.1
[M+H-H2O]+ 410.03980 174.5
[M+HCOO]- 472.04074 196.0
[M+CH3COO]- 486.05639 225.2
[M+Na-2H]- 448.01721 190.4
[M]+ 427.04199 182.0
[M]- 427.04309 182.0
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

patents stripe